PubChemLite - Nsc328397 (C30H42N6)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCNC1=C2C=CC3=C(C2=NC(=C1)C)C=CC4=C(C=C(N=C34)C)NCCN(CC)CC

InChI

InChI=1S/C30H42N6/c1-7-35(8-2)17-15-31-27-19-21(5)33-29-23-12-14-26-28(32-16-18-36(9-3)10-4)20-22(6)34-30(26)24(23)11-13-25(27)29/h11-14,19-20H,7-10,15-18H2,1-6H3,(H,31,33)(H,32,34)

InChIKey

YDXDIPBVWWLCOL-UHFFFAOYSA-N

Compound name

1-N,7-N-bis[2-(diethylamino)ethyl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-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]+	487.35438	228.1
[M+Na]+	509.33632	232.8
[M-H]-	485.33982	233.0
[M+NH4]+	504.38092	236.4
[M+K]+	525.31026	226.9
[M+H-H2O]+	469.34436	215.2
[M+HCOO]-	531.34530	247.7
[M+CH3COO]-	545.36095	264.5
[M+Na-2H]-	507.32177	231.9
[M]+	486.34655	235.3
[M]-	486.34765	235.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

487.35438

228.1

[M+Na]+

509.33632

232.8

[M-H]-

485.33982

233.0

[M+NH4]+

504.38092

236.4

[M+K]+

525.31026

226.9

[M+H-H2O]+

469.34436

215.2

[M+HCOO]-

531.34530

247.7

[M+CH3COO]-

545.36095

264.5

[M+Na-2H]-

507.32177

231.9

[M]+

486.34655

235.3

[M]-

486.34765

235.3

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

Nsc328397

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe