CID 16227923

929974-84-5

Structural Information

Molecular Formula
C20H16N2O2
SMILES
C\1CC2=C(/C1=C/C3=CC=CC=C3)N(N=C2C(=O)O)C4=CC=CC=C4
InChI
InChI=1S/C20H16N2O2/c23-20(24)18-17-12-11-15(13-14-7-3-1-4-8-14)19(17)22(21-18)16-9-5-2-6-10-16/h1-10,13H,11-12H2,(H,23,24)/b15-13+
InChIKey
LUIFIKCIOJNWNE-FYWRMAATSA-N
Compound name
(6E)-6-benzylidene-1-phenyl-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1212 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12848 174.8
[M+Na]+ 339.11042 182.5
[M-H]- 315.11392 182.2
[M+NH4]+ 334.15502 189.9
[M+K]+ 355.08436 176.1
[M+H-H2O]+ 299.11846 166.0
[M+HCOO]- 361.11940 194.0
[M+CH3COO]- 375.13505 185.5
[M+Na-2H]- 337.09587 174.4
[M]+ 316.12065 173.4
[M]- 316.12175 173.4
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.