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]+ 222.087326 146.1
[M+Na]+ 244.069268 158.3
[M-H]- 220.072774 145.7
[M+NH4]+ 239.113873 162.7
[M+K]+ 260.043208 154.1
[M+H-H2O]+ 204.077310 139.4
[M+HCOO]- 266.078251 165.4
[M+CH3COO]- 280.093901 185.0
[M+Na-2H]- 242.054716 150.3
[M]+ 221.07950142 149.1
[M]- 221.08059858 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.