CID 15956868

5-(2-naphthyl)-2-[3-(trifluoromethyl)-2-pyridyl]pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C20H12F3N3O2
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=NN(C(=C3)C(=O)O)C4=C(C=CC=N4)C(F)(F)F
InChI
InChI=1S/C20H12F3N3O2/c21-20(22,23)15-6-3-9-24-18(15)26-17(19(27)28)11-16(25-26)14-8-7-12-4-1-2-5-13(12)10-14/h1-11H,(H,27,28)
InChIKey
AWFDPMUMAIEYIY-UHFFFAOYSA-N
Compound name
5-naphthalen-2-yl-2-[3-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

383.08817 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.09545 187.7
[M+Na]+ 406.07739 198.6
[M-H]- 382.08089 190.7
[M+NH4]+ 401.12199 197.1
[M+K]+ 422.05133 190.7
[M+H-H2O]+ 366.08543 174.9
[M+HCOO]- 428.08637 202.2
[M+CH3COO]- 442.10202 196.9
[M+Na-2H]- 404.06284 190.6
[M]+ 383.08762 186.2
[M]- 383.08872 186.2
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