CID 15957906

Schembl14014355

Structural Information

Molecular Formula
C20H13ClFN3O3
SMILES
COC1=CC(=CC(=C1)C2=CC(=NC3=CC(=NN23)C(=O)O)C4=CC(=CC=C4)Cl)F
InChI
InChI=1S/C20H13ClFN3O3/c1-28-15-7-12(6-14(22)8-15)18-9-16(11-3-2-4-13(21)5-11)23-19-10-17(20(26)27)24-25(18)19/h2-10H,1H3,(H,26,27)
InChIKey
BGAVRVGWOGJKFW-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-7-(3-fluoro-5-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

397.06296 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.07024 189.7
[M+Na]+ 420.05218 202.3
[M-H]- 396.05568 195.5
[M+NH4]+ 415.09678 199.8
[M+K]+ 436.02612 194.5
[M+H-H2O]+ 380.06022 178.6
[M+HCOO]- 442.06116 203.5
[M+CH3COO]- 456.07681 200.0
[M+Na-2H]- 418.03763 191.0
[M]+ 397.06241 195.4
[M]- 397.06351 195.4
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

patents stripe