PubChemLite - 343247-32-5 (C34H34N8O2)

Structural Information

Molecular Formula

SMILES

CC1=C2C(=CC=C1)N=C3C=CC=C(C3=N2)C(=O)NCCNCCNCCNC(=O)C4=CC=CC5=NC6=CC=CC(=C6N=C54)C

InChI

InChI=1S/C34H34N8O2/c1-21-7-3-11-25-29(21)41-31-23(9-5-13-27(31)39-25)33(43)37-19-17-35-15-16-36-18-20-38-34(44)24-10-6-14-28-32(24)42-30-22(2)8-4-12-26(30)40-28/h3-14,35-36H,15-20H2,1-2H3,(H,37,43)(H,38,44)

InChIKey

SFOADSRLCHRTKT-UHFFFAOYSA-N

Compound name

9-methyl-N-[2-[2-[2-[(9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]phenazine-1-carboxamide

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]+	587.28774	236.5
[M+Na]+	609.26968	241.3
[M-H]-	585.27318	240.6
[M+NH4]+	604.31428	236.2
[M+K]+	625.24362	232.7
[M+H-H2O]+	569.27772	221.3
[M+HCOO]-	631.27866	251.5
[M+CH3COO]-	645.29431	240.0
[M+Na-2H]-	607.25513	246.5
[M]+	586.27991	240.7
[M]-	586.28101	240.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

587.28774

236.5

[M+Na]+

609.26968

241.3

[M-H]-

585.27318

240.6

[M+NH4]+

604.31428

236.2

[M+K]+

625.24362

232.7

[M+H-H2O]+

569.27772

221.3

[M+HCOO]-

631.27866

251.5

[M+CH3COO]-

645.29431

240.0

[M+Na-2H]-

607.25513

246.5

[M]+

586.27991

240.7

[M]-

586.28101

240.7

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

343247-32-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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