PubChemLite - 10547-40-7 (C28H32Cl2N6)

Structural Information

Molecular Formula

SMILES

CC(CN1CCN(CC1)CC(C)NC2=C3C=CC(=CC3=NC=C2)Cl)NC4=C5C=CC(=CC5=NC=C4)Cl

InChI

InChI=1S/C28H32Cl2N6/c1-19(33-25-7-9-31-27-15-21(29)3-5-23(25)27)17-35-11-13-36(14-12-35)18-20(2)34-26-8-10-32-28-16-22(30)4-6-24(26)28/h3-10,15-16,19-20H,11-14,17-18H2,1-2H3,(H,31,33)(H,32,34)

InChIKey

FIERVDLXKNFTPK-UHFFFAOYSA-N

Compound name

7-chloro-N-[1-[4-[2-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propan-2-yl]quinolin-4-amine

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]+	523.21382	221.9
[M+Na]+	545.19576	226.8
[M-H]-	521.19926	225.0
[M+NH4]+	540.24036	224.3
[M+K]+	561.16970	217.1
[M+H-H2O]+	505.20380	207.7
[M+HCOO]-	567.20474	223.8
[M+CH3COO]-	581.22039	225.7
[M+Na-2H]-	543.18121	223.9
[M]+	522.20599	222.8
[M]-	522.20709	222.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

523.21382

221.9

[M+Na]+

545.19576

226.8

[M-H]-

521.19926

225.0

[M+NH4]+

540.24036

224.3

[M+K]+

561.16970

217.1

[M+H-H2O]+

505.20380

207.7

[M+HCOO]-

567.20474

223.8

[M+CH3COO]-

581.22039

225.7

[M+Na-2H]-

543.18121

223.9

[M]+

522.20599

222.8

[M]-

522.20709

222.8

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

10547-40-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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