CID 71756737

3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

Structural Information

Molecular Formula
C8H6N4O3
SMILES
C1=C(N2C(=C(C=N2)C(=O)N)N=C1)C(=O)O
InChI
InChI=1S/C8H6N4O3/c9-6(13)4-3-11-12-5(8(14)15)1-2-10-7(4)12/h1-3H,(H2,9,13)(H,14,15)
InChIKey
UCSHYAPSHZJSEA-UHFFFAOYSA-N
Compound name
3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.04399 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.051266 139.7
[M+Na]+ 229.033208 150.2
[M-H]- 205.036714 139.9
[M+NH4]+ 224.077813 156.3
[M+K]+ 245.007148 147.5
[M+H-H2O]+ 189.041250 132.3
[M+HCOO]- 251.042191 160.7
[M+CH3COO]- 265.057841 184.2
[M+Na-2H]- 227.018656 145.4
[M]+ 206.04344142 140.7
[M]- 206.04453858 140.7
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

patents stripe