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

0
Patents

206.04399 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05127 139.7
[M+Na]+ 229.03321 150.2
[M-H]- 205.03671 139.9
[M+NH4]+ 224.07781 156.3
[M+K]+ 245.00715 147.5
[M+H-H2O]+ 189.04125 132.3
[M+HCOO]- 251.04219 160.7
[M+CH3COO]- 265.05784 184.2
[M+Na-2H]- 227.01866 145.4
[M]+ 206.04344 140.7
[M]- 206.04454 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

No patent data available for this compound.