CID 50987758

2-{5,7-dimethyl-2-oxo-1h,2h-pyrazolo[1,5-a]pyrimidin-6-yl}acetic acid

Structural Information

Molecular Formula
C10H11N3O3
SMILES
CC1=C(C(=NC2=CC(=O)NN12)C)CC(=O)O
InChI
InChI=1S/C10H11N3O3/c1-5-7(3-10(15)16)6(2)13-8(11-5)4-9(14)12-13/h4H,3H2,1-2H3,(H,12,14)(H,15,16)
InChIKey
RNOUPZUEZPCCEM-UHFFFAOYSA-N
Compound name
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08005 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.08733 146.1
[M+Na]+ 244.06927 158.3
[M-H]- 220.07277 145.7
[M+NH4]+ 239.11387 162.7
[M+K]+ 260.04321 154.1
[M+H-H2O]+ 204.07731 139.4
[M+HCOO]- 266.07825 165.4
[M+CH3COO]- 280.09390 185.0
[M+Na-2H]- 242.05472 150.3
[M]+ 221.07950 149.1
[M]- 221.08060 149.1
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.