PubChemLite - Nsc260610 (C34H34N4O2)

Structural Information

Molecular Formula

SMILES

COC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NCCCCCCNC4=C5C=CC(=CC5=NC6=CC=CC=C64)OC

InChI

InChI=1S/C34H34N4O2/c1-39-23-15-17-27-31(21-23)37-29-13-7-5-11-25(29)33(27)35-19-9-3-4-10-20-36-34-26-12-6-8-14-30(26)38-32-22-24(40-2)16-18-28(32)34/h5-8,11-18,21-22H,3-4,9-10,19-20H2,1-2H3,(H,35,37)(H,36,38)

InChIKey

FLTPBXAPYZIIEV-UHFFFAOYSA-N

Compound name

N,N'-bis(3-methoxyacridin-9-yl)hexane-1,6-diamine

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]+	531.27548	231.6
[M+Na]+	553.25742	238.3
[M-H]-	529.26092	237.9
[M+NH4]+	548.30202	236.9
[M+K]+	569.23136	229.3
[M+H-H2O]+	513.26546	216.2
[M+HCOO]-	575.26640	248.5
[M+CH3COO]-	589.28205	237.2
[M+Na-2H]-	551.24287	239.7
[M]+	530.26765	237.9
[M]-	530.26875	237.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

531.27548

231.6

[M+Na]+

553.25742

238.3

[M-H]-

529.26092

237.9

[M+NH4]+

548.30202

236.9

[M+K]+

569.23136

229.3

[M+H-H2O]+

513.26546

216.2

[M+HCOO]-

575.26640

248.5

[M+CH3COO]-

589.28205

237.2

[M+Na-2H]-

551.24287

239.7

[M]+

530.26765

237.9

[M]-

530.26875

237.9

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

Nsc260610

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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