PubChemLite - 1149348-10-6 (C28H38N6)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C2C=CC3=C(C2=N1)C=CC4=C(C=C(N=C34)C)NCCCN(C)C)NCCCN(C)C

InChI

InChI=1S/C28H38N6/c1-19-17-25(29-13-7-15-33(3)4)23-11-10-22-21(27(23)31-19)9-12-24-26(18-20(2)32-28(22)24)30-14-8-16-34(5)6/h9-12,17-18H,7-8,13-16H2,1-6H3,(H,29,31)(H,30,32)

InChIKey

WJUPENLNVUCETH-UHFFFAOYSA-N

Compound name

1-N,7-N-bis[3-(dimethylamino)propyl]-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]+	459.32308	219.4
[M+Na]+	481.30502	225.1
[M-H]-	457.30852	224.8
[M+NH4]+	476.34962	228.9
[M+K]+	497.27896	219.5
[M+H-H2O]+	441.31306	207.0
[M+HCOO]-	503.31400	239.8
[M+CH3COO]-	517.32965	258.9
[M+Na-2H]-	479.29047	224.3
[M]+	458.31525	226.0
[M]-	458.31635	226.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

459.32308

219.4

[M+Na]+

481.30502

225.1

[M-H]-

457.30852

224.8

[M+NH4]+

476.34962

228.9

[M+K]+

497.27896

219.5

[M+H-H2O]+

441.31306

207.0

[M+HCOO]-

503.31400

239.8

[M+CH3COO]-

517.32965

258.9

[M+Na-2H]-

479.29047

224.3

[M]+

458.31525

226.0

[M]-

458.31635

226.0

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

1149348-10-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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