CID 3555399

618103-04-1

Structural Information

Molecular Formula
C20H19FN2O2
SMILES
CC(C)CC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)C3=CC=CC=C3F
InChI
InChI=1S/C20H19FN2O2/c1-13(2)11-14-7-9-15(10-8-14)17-12-19(20(24)25)23(22-17)18-6-4-3-5-16(18)21/h3-10,12-13H,11H2,1-2H3,(H,24,25)
InChIKey
PXWZTMBUCQXVSW-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-5-[4-(2-methylpropyl)phenyl]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.14307 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15035 182.5
[M+Na]+ 361.13229 195.8
[M+NH4]+ 356.17689 188.5
[M+K]+ 377.10623 190.9
[M-H]- 337.13579 185.1
[M+Na-2H]- 359.11774 189.8
[M]+ 338.14252 185.0
[M]- 338.14362 185.0
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.