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]+ 305.12848 171.9
[M+Na]+ 327.11042 180.0
[M-H]- 303.11392 178.2
[M+NH4]+ 322.15502 184.9
[M+K]+ 343.08436 173.7
[M+H-H2O]+ 287.11846 162.4
[M+HCOO]- 349.11940 192.3
[M+CH3COO]- 363.13505 182.8
[M+Na-2H]- 325.09587 173.2
[M]+ 304.12065 171.9
[M]- 304.12175 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