CID 17541245

1,5-diphenyl-4,5-dihydro-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C1C(N(N=C1C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O2/c19-16(20)14-11-15(12-7-3-1-4-8-12)18(17-14)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,19,20)
InChIKey
NXFXMRQTSCVALM-UHFFFAOYSA-N
Compound name
2,3-diphenyl-3,4-dihydropyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

266.10553 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.112806 160.0
[M+Na]+ 289.094748 167.2
[M-H]- 265.098254 166.0
[M+NH4]+ 284.139353 174.2
[M+K]+ 305.068688 162.3
[M+H-H2O]+ 249.102790 150.7
[M+HCOO]- 311.103731 179.9
[M+CH3COO]- 325.119381 171.3
[M+Na-2H]- 287.080196 162.7
[M]+ 266.10498142 158.0
[M]- 266.10607858 158.0
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

patents stripe