CID 135404215

7255-87-0

Structural Information

Molecular Formula
C7H6N4O
SMILES
C1=CC2=C(N=C1)N=C(NC2=O)N
InChI
InChI=1S/C7H6N4O/c8-7-10-5-4(6(12)11-7)2-1-3-9-5/h1-3H,(H3,8,9,10,11,12)
InChIKey
JXYNHGDZJFQCAX-UHFFFAOYSA-N
Compound name
2-amino-3H-pyrido[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

162.05415 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06143 131.1
[M+Na]+ 185.04337 141.9
[M-H]- 161.04687 130.6
[M+NH4]+ 180.08797 147.9
[M+K]+ 201.01731 137.5
[M+H-H2O]+ 145.05141 123.5
[M+HCOO]- 207.05235 151.5
[M+CH3COO]- 221.06800 143.9
[M+Na-2H]- 183.02882 141.2
[M]+ 162.05360 128.6
[M]- 162.05470 128.6
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