CID 25248734

5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

Structural Information

Molecular Formula
C13H9N3O2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=NN3C(=C2)C(=O)O
InChI
InChI=1S/C13H9N3O2/c17-13(18)11-8-10(9-4-2-1-3-5-9)15-12-6-7-14-16(11)12/h1-8H,(H,17,18)
InChIKey
DMRXYZWKKFOYSM-UHFFFAOYSA-N
Compound name
5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.06947 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07675 150.9
[M+Na]+ 262.05869 166.2
[M+NH4]+ 257.10329 158.3
[M+K]+ 278.03263 161.5
[M-H]- 238.06219 153.1
[M+Na-2H]- 260.04414 159.5
[M]+ 239.06892 153.6
[M]- 239.07002 153.6
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.

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No patent data available for this compound.