CID 16227604

8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C14H10N4O3
SMILES
C1=CC=C(C=C1)C2=NC3=C(N=CN3C(=C2)C(=O)O)C(=O)N
InChI
InChI=1S/C14H10N4O3/c15-12(19)11-13-17-9(8-4-2-1-3-5-8)6-10(14(20)21)18(13)7-16-11/h1-7H,(H2,15,19)(H,20,21)
InChIKey
QGWHUWMWFWEBPO-UHFFFAOYSA-N
Compound name
8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0753 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08258 161.1
[M+Na]+ 305.06452 171.0
[M-H]- 281.06802 164.5
[M+NH4]+ 300.10912 174.3
[M+K]+ 321.03846 166.3
[M+H-H2O]+ 265.07256 152.2
[M+HCOO]- 327.07350 181.4
[M+CH3COO]- 341.08915 172.5
[M+Na-2H]- 303.04997 165.4
[M]+ 282.07475 162.1
[M]- 282.07585 162.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.