CID 86207930

1443279-63-7

Structural Information

Molecular Formula
C14H10FN3O2
SMILES
CC1=C2N=C(C=C(N2N=C1)C(=O)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H10FN3O2/c1-8-7-16-18-12(14(19)20)6-11(17-13(8)18)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,19,20)
InChIKey
VGWUTVJTINQEMI-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0757 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08298 158.5
[M+Na]+ 294.06492 170.6
[M-H]- 270.06842 161.1
[M+NH4]+ 289.10952 173.2
[M+K]+ 310.03886 164.9
[M+H-H2O]+ 254.07296 149.0
[M+HCOO]- 316.07390 177.8
[M+CH3COO]- 330.08955 170.6
[M+Na-2H]- 292.05037 162.7
[M]+ 271.07515 160.3
[M]- 271.07625 160.3
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.