PubChemLite - M4205 (C29H32N8O)

Structural Information

Molecular Formula

SMILES

CN1C=C(C=N1)C2=CC=C(C=C2)CNC3=NC=NC(=C3)C4=CN=C5N4C=CC(=C5)OCCCN6CCCC6

InChI

InChI=1S/C29H32N8O/c1-35-20-24(18-34-35)23-7-5-22(6-8-23)17-30-28-16-26(32-21-33-28)27-19-31-29-15-25(9-13-37(27)29)38-14-4-12-36-10-2-3-11-36/h5-9,13,15-16,18-21H,2-4,10-12,14,17H2,1H3,(H,30,32,33)

InChIKey

LVMAULGVWBINFP-UHFFFAOYSA-N

Compound name

N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-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]+	509.27718	215.3
[M+Na]+	531.25912	221.5
[M-H]-	507.26262	224.5
[M+NH4]+	526.30372	217.5
[M+K]+	547.23306	212.9
[M+H-H2O]+	491.26716	200.7
[M+HCOO]-	553.26810	230.4
[M+CH3COO]-	567.28375	221.3
[M+Na-2H]-	529.24457	211.7
[M]+	508.26935	217.4
[M]-	508.27045	217.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

509.27718

215.3

[M+Na]+

531.25912

221.5

[M-H]-

507.26262

224.5

[M+NH4]+

526.30372

217.5

[M+K]+

547.23306

212.9

[M+H-H2O]+

491.26716

200.7

[M+HCOO]-

553.26810

230.4

[M+CH3COO]-

567.28375

221.3

[M+Na-2H]-

529.24457

211.7

[M]+

508.26935

217.4

[M]-

508.27045

217.4

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

M4205

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe