CID 25023706

7-amino-2-tert-butyl-4-{[2-(1h-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide

Structural Information

Molecular Formula
C17H22N8O
SMILES
CC(C)(C)C1=NC2=NC(=C(C=C2C(=N1)NCCC3=CN=CN3)C(=O)N)N
InChI
InChI=1S/C17H22N8O/c1-17(2,3)16-24-14(21-5-4-9-7-20-8-22-9)11-6-10(13(19)26)12(18)23-15(11)25-16/h6-8H,4-5H2,1-3H3,(H2,19,26)(H,20,22)(H3,18,21,23,24,25)
InChIKey
XESUNWBIAADLPI-UHFFFAOYSA-N
Compound name
7-amino-2-tert-butyl-4-[2-(1H-imidazol-5-yl)ethylamino]pyrido[2,3-d]pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

354.19165 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19893 187.4
[M+Na]+ 377.18087 195.9
[M-H]- 353.18437 188.2
[M+NH4]+ 372.22547 194.9
[M+K]+ 393.15481 189.3
[M+H-H2O]+ 337.18891 177.4
[M+HCOO]- 399.18985 204.2
[M+CH3COO]- 413.20550 220.8
[M+Na-2H]- 375.16632 192.1
[M]+ 354.19110 186.6
[M]- 354.19220 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe