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 174.1
[M+NH4]+ 300.10912 166.7
[M+K]+ 321.03846 171.5
[M-H]- 281.06802 162.5
[M+Na-2H]- 303.04997 167.6
[M]+ 282.07475 163.0
[M]- 282.07585 163.0
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.

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No patent data available for this compound.