PubChemLite - Benzo(a)phenazinium, 7-phenyl-5,9-bis(phenylamino)-4,10-disulfo-, inner salt, sodium salt (1:1) (C34H25N4O6S2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)NC2=CC3=[N+](C4=CC(=C(C=C4N=C3C5=C2C(=CC=C5)S(=O)(=O)O)S(=O)(=O)O)NC6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C34H24N4O6S2/c39-45(40,41)31-18-10-17-25-33(31)28(36-23-13-6-2-7-14-23)20-30-34(25)37-26-21-32(46(42,43)44)27(35-22-11-4-1-5-12-22)19-29(26)38(30)24-15-8-3-9-16-24/h1-21H,(H3,35,36,39,40,41,42,43,44)/p+1

InChIKey

VMLSIHQDUBKHRM-UHFFFAOYSA-O

Compound name

5,9-dianilino-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	650.12888	240.1
[M+Na]+	672.11082	245.2
[M-H]-	648.11432	248.3
[M+NH4]+	667.15542	237.6
[M+K]+	688.08476	232.9
[M+H-H2O]+	632.11886	230.5
[M+HCOO]-	694.11980	244.5
[M+CH3COO]-	708.13545	243.0
[M+Na-2H]-	670.09627	255.9
[M]+	649.12105	242.1
[M]-	649.12215	242.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

650.12888

240.1

[M+Na]+

672.11082

245.2

[M-H]-

648.11432

248.3

[M+NH4]+

667.15542

237.6

[M+K]+

688.08476

232.9

[M+H-H2O]+

632.11886

230.5

[M+HCOO]-

694.11980

244.5

[M+CH3COO]-

708.13545

243.0

[M+Na-2H]-

670.09627

255.9

[M]+

649.12105

242.1

[M]-

649.12215

242.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Benzo(a)phenazinium, 7-phenyl-5,9-bis(phenylamino)-4,10-disulfo-, inner salt, sodium salt (1:1)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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