PubChemLite - Azd2014 (C25H30N6O3)

Structural Information

Molecular Formula

SMILES

C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C

InChI

InChI=1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1

InChIKey

JUSFANSTBFGBAF-IRXDYDNUSA-N

Compound name

3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide

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]+	463.24523	217.1
[M+Na]+	485.22717	231.7
[M+NH4]+	480.27177	221.8
[M+K]+	501.20111	225.0
[M-H]-	461.23067	225.6
[M+Na-2H]-	483.21262	222.6
[M]+	462.23740	221.5
[M]-	462.23850	221.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.24523

217.1

[M+Na]+

485.22717

231.7

[M+NH4]+

480.27177

221.8

[M+K]+

501.20111

225.0

[M-H]-

461.23067

225.6

[M+Na-2H]-

483.21262

222.6

[M]+

462.23740

221.5

[M]-

462.23850

221.5

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

Azd2014

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe