CID 15957909

Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid,7-(3-fluoro-5-methoxyphenyl)-5-(3-methoxyphenyl)-

Structural Information

Molecular Formula
C21H16FN3O4
SMILES
COC1=CC=CC(=C1)C2=NC3=CC(=NN3C(=C2)C4=CC(=CC(=C4)F)OC)C(=O)O
InChI
InChI=1S/C21H16FN3O4/c1-28-15-5-3-4-12(7-15)17-10-19(13-6-14(22)9-16(8-13)29-2)25-20(23-17)11-18(24-25)21(26)27/h3-11H,1-2H3,(H,26,27)
InChIKey
JRTHPNHXECEOPS-UHFFFAOYSA-N
Compound name
7-(3-fluoro-5-methoxyphenyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

393.1125 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.11978 191.8
[M+Na]+ 416.10172 202.9
[M-H]- 392.10522 197.7
[M+NH4]+ 411.14632 201.0
[M+K]+ 432.07566 196.8
[M+H-H2O]+ 376.10976 180.1
[M+HCOO]- 438.11070 209.9
[M+CH3COO]- 452.12635 201.8
[M+Na-2H]- 414.08717 193.1
[M]+ 393.11195 196.7
[M]- 393.11305 196.7
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