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 147.2
[M+Na]+ 244.06927 159.7
[M+NH4]+ 239.11387 152.6
[M+K]+ 260.04321 157.4
[M-H]- 220.07277 145.4
[M+Na-2H]- 242.05472 150.5
[M]+ 221.07950 148.1
[M]- 221.08060 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.