CID 16072888

Chembl214165

Structural Information

Molecular Formula
C19H22N2O3
SMILES
COC1=CC=C(C=C1)C2=NC(=CN2C3CCCCC3)/C=C/C(=O)O
InChI
InChI=1S/C19H22N2O3/c1-24-17-10-7-14(8-11-17)19-20-15(9-12-18(22)23)13-21(19)16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H,22,23)/b12-9+
InChIKey
QJVFARUNWXSAHW-FMIVXFBMSA-N
Compound name
(E)-3-[1-cyclohexyl-2-(4-methoxyphenyl)imidazol-4-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.16306 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 178.5
[M+Na]+ 349.15228 183.3
[M-H]- 325.15578 183.6
[M+NH4]+ 344.19688 190.2
[M+K]+ 365.12622 178.3
[M+H-H2O]+ 309.16032 168.7
[M+HCOO]- 371.16126 194.8
[M+CH3COO]- 385.17691 204.9
[M+Na-2H]- 347.13773 176.8
[M]+ 326.16251 175.6
[M]- 326.16361 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.