PubChemLite - 878197-98-9 (C24H32N6O)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)[C@H]4CCCC5=C4N=CC=C5

InChI

InChI=1S/C24H32N6O/c1-27-12-14-29(15-13-27)23-10-4-9-22-26-19(21(17-31)30(22)23)16-28(2)20-8-3-6-18-7-5-11-25-24(18)20/h4-5,7,9-11,20,31H,3,6,8,12-17H2,1-2H3/t20-/m0/s1

InChIKey

QUDMHFVRKBVGBY-FQEVSTJZSA-N

Compound name

[5-(4-methylpiperazin-1-yl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-3-yl]methanol

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]+	421.27104	205.3
[M+Na]+	443.25298	218.9
[M+NH4]+	438.29758	211.9
[M+K]+	459.22692	212.7
[M-H]-	419.25648	210.3
[M+Na-2H]-	441.23843	211.0
[M]+	420.26321	208.5
[M]-	420.26431	208.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

421.27104

205.3

[M+Na]+

443.25298

218.9

[M+NH4]+

438.29758

211.9

[M+K]+

459.22692

212.7

[M-H]-

419.25648

210.3

[M+Na-2H]-

441.23843

211.0

[M]+

420.26321

208.5

[M]-

420.26431

208.5

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

878197-98-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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