PubChemLite - Bos-172722 (C24H30N8O)

Structural Information

Molecular Formula

SMILES

CCOC1=C(C=CC(=C1)C2=NN=CN2C)NC3=NC=C4C=C(N=C(C4=N3)NCC(C)(C)C)C

InChI

InChI=1S/C24H30N8O/c1-7-33-19-11-16(22-31-27-14-32(22)6)8-9-18(19)29-23-25-12-17-10-15(2)28-21(20(17)30-23)26-13-24(3,4)5/h8-12,14H,7,13H2,1-6H3,(H,26,28)(H,25,29,30)

InChIKey

SGWLRDAOCLITOM-UHFFFAOYSA-N

Compound name

8-N-(2,2-dimethylpropyl)-2-N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine

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]+	447.26155	217.3
[M+Na]+	469.24349	226.6
[M-H]-	445.24699	221.7
[M+NH4]+	464.28809	220.9
[M+K]+	485.21743	218.5
[M+H-H2O]+	429.25153	204.3
[M+HCOO]-	491.25247	233.3
[M+CH3COO]-	505.26812	224.3
[M+Na-2H]-	467.22894	221.4
[M]+	446.25372	222.5
[M]-	446.25482	222.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.26155

217.3

[M+Na]+

469.24349

226.6

[M-H]-

445.24699

221.7

[M+NH4]+

464.28809

220.9

[M+K]+

485.21743

218.5

[M+H-H2O]+

429.25153

204.3

[M+HCOO]-

491.25247

233.3

[M+CH3COO]-

505.26812

224.3

[M+Na-2H]-

467.22894

221.4

[M]+

446.25372

222.5

[M]-

446.25482

222.5

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

Bos-172722

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe