PubChemLite - Cc3qfh9uua (C29H32N6O)

Structural Information

Molecular Formula

SMILES

CC1=C(C2=C(C=C1)N3C=NC(=C3CC2)C(=O)N)CCN4CCN(CC4)C5=CC=CC6=C5C=CC(=N6)C

InChI

InChI=1S/C29H32N6O/c1-19-6-10-26-22(9-11-27-28(29(30)36)31-18-35(26)27)21(19)12-13-33-14-16-34(17-15-33)25-5-3-4-24-23(25)8-7-20(2)32-24/h3-8,10,18H,9,11-17H2,1-2H3,(H2,30,36)

InChIKey

RKWZRKZRPIUILS-UHFFFAOYSA-N

Compound name

7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-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]+	481.27104	223.4
[M+Na]+	503.25298	229.9
[M-H]-	479.25648	228.0
[M+NH4]+	498.29758	227.6
[M+K]+	519.22692	220.0
[M+H-H2O]+	463.26102	208.9
[M+HCOO]-	525.26196	231.6
[M+CH3COO]-	539.27761	228.1
[M+Na-2H]-	501.23843	221.5
[M]+	480.26321	220.7
[M]-	480.26431	220.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.27104

223.4

[M+Na]+

503.25298

229.9

[M-H]-

479.25648

228.0

[M+NH4]+

498.29758

227.6

[M+K]+

519.22692

220.0

[M+H-H2O]+

463.26102

208.9

[M+HCOO]-

525.26196

231.6

[M+CH3COO]-

539.27761

228.1

[M+Na-2H]-

501.23843

221.5

[M]+

480.26321

220.7

[M]-

480.26431

220.7

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

Cc3qfh9uua

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe