CID 882269

108446-74-8

Structural Information

Molecular Formula
C19H16N2O2
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C19H16N2O2/c1-14-7-9-15(10-8-14)19-16(11-12-18(22)23)13-21(20-19)17-5-3-2-4-6-17/h2-13H,1H3,(H,22,23)/b12-11+
InChIKey
VKOYKKRRVGLIMR-VAWYXSNFSA-N
Compound name
(E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

304.1212 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.128476 171.9
[M+Na]+ 327.110418 180.0
[M-H]- 303.113924 178.2
[M+NH4]+ 322.155023 184.9
[M+K]+ 343.084358 173.7
[M+H-H2O]+ 287.118460 162.4
[M+HCOO]- 349.119401 192.3
[M+CH3COO]- 363.135051 182.8
[M+Na-2H]- 325.095866 173.2
[M]+ 304.12065142 171.9
[M]- 304.12174858 171.9
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