PubChemLite - Gcp 74359a (C29H44ClN5O)

Structural Information

Molecular Formula

SMILES

COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN(CCCCCCN)CCCCCCN

InChI

InChI=1S/C29H44ClN5O/c1-36-24-12-14-27-26(22-24)29(25-13-11-23(30)21-28(25)34-27)33-17-10-20-35(18-8-4-2-6-15-31)19-9-5-3-7-16-32/h11-14,21-22H,2-10,15-20,31-32H2,1H3,(H,33,34)

InChIKey

CHFHERMWGFNPSS-UHFFFAOYSA-N

Compound name

N'-(6-aminohexyl)-N'-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]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]+	514.33068	230.2
[M+Na]+	536.31262	233.2
[M-H]-	512.31612	232.3
[M+NH4]+	531.35722	237.4
[M+K]+	552.28656	225.5
[M+H-H2O]+	496.32066	219.2
[M+HCOO]-	558.32160	246.3
[M+CH3COO]-	572.33725	260.3
[M+Na-2H]-	534.29807	231.3
[M]+	513.32285	238.0
[M]-	513.32395	238.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

514.33068

230.2

[M+Na]+

536.31262

233.2

[M-H]-

512.31612

232.3

[M+NH4]+

531.35722

237.4

[M+K]+

552.28656

225.5

[M+H-H2O]+

496.32066

219.2

[M+HCOO]-

558.32160

246.3

[M+CH3COO]-

572.33725

260.3

[M+Na-2H]-

534.29807

231.3

[M]+

513.32285

238.0

[M]-

513.32395

238.0

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

Gcp 74359a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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