PubChemLite - Gsm az3303 (C24H23N5O2)

Structural Information

Molecular Formula

SMILES

C1C(C2=NC(=NC=C2CN1CCO)NC3=CC=C(C=C3)C4=CN=CO4)C5=CC=CC=C5

InChI

InChI=1S/C24H23N5O2/c30-11-10-29-14-19-12-26-24(28-23(19)21(15-29)17-4-2-1-3-5-17)27-20-8-6-18(7-9-20)22-13-25-16-31-22/h1-9,12-13,16,21,30H,10-11,14-15H2,(H,26,27,28)

InChIKey

SCYXPYWACGMENT-UHFFFAOYSA-N

Compound name

2-[2-[4-(1,3-oxazol-5-yl)anilino]-8-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol

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]+	414.19246	198.6
[M+Na]+	436.17440	204.6
[M-H]-	412.17790	205.9
[M+NH4]+	431.21900	202.8
[M+K]+	452.14834	197.4
[M+H-H2O]+	396.18244	185.1
[M+HCOO]-	458.18338	212.9
[M+CH3COO]-	472.19903	205.7
[M+Na-2H]-	434.15985	201.5
[M]+	413.18463	196.6
[M]-	413.18573	196.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

414.19246

198.6

[M+Na]+

436.17440

204.6

[M-H]-

412.17790

205.9

[M+NH4]+

431.21900

202.8

[M+K]+

452.14834

197.4

[M+H-H2O]+

396.18244

185.1

[M+HCOO]-

458.18338

212.9

[M+CH3COO]-

472.19903

205.7

[M+Na-2H]-

434.15985

201.5

[M]+

413.18463

196.6

[M]-

413.18573

196.6

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

Gsm az3303

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe