CID 16227607

8-carbamoyl-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C12H8N4O4
SMILES
C1=COC(=C1)C2=NC3=C(N=CN3C(=C2)C(=O)O)C(=O)N
InChI
InChI=1S/C12H8N4O4/c13-10(17)9-11-15-6(8-2-1-3-20-8)4-7(12(18)19)16(11)5-14-9/h1-5H,(H2,13,17)(H,18,19)
InChIKey
SVRCXKIZQMBNSX-UHFFFAOYSA-N
Compound name
8-carbamoyl-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.05457 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06185 156.1
[M+Na]+ 295.04379 166.5
[M-H]- 271.04729 160.8
[M+NH4]+ 290.08839 170.2
[M+K]+ 311.01773 164.3
[M+H-H2O]+ 255.05183 148.4
[M+HCOO]- 317.05277 177.1
[M+CH3COO]- 331.06842 168.5
[M+Na-2H]- 293.02924 159.1
[M]+ 272.05402 159.3
[M]- 272.05512 159.3
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.