CID 622363

26192-74-5

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C1CN(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C16H14N2O2/c19-16(20)13-6-8-14(9-7-13)18-11-10-15(17-18)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,20)
InChIKey
LAPVFTFXZOTVLT-UHFFFAOYSA-N
Compound name
4-(5-phenyl-3,4-dihydropyrazol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.10553 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 160.0
[M+Na]+ 289.09475 167.2
[M-H]- 265.09825 166.0
[M+NH4]+ 284.13935 174.2
[M+K]+ 305.06869 162.3
[M+H-H2O]+ 249.10279 150.7
[M+HCOO]- 311.10373 179.9
[M+CH3COO]- 325.11938 171.3
[M+Na-2H]- 287.08020 162.7
[M]+ 266.10498 158.0
[M]- 266.10608 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