CID 6447283

73043-50-2

Structural Information

Molecular Formula
C15H14Cl2N2O3
SMILES
CC1=N/C(=C/C2=CC(=C(C=C2)Cl)Cl)/C(=O)N1CCCC(=O)O
InChI
InChI=1S/C15H14Cl2N2O3/c1-9-18-13(8-10-4-5-11(16)12(17)7-10)15(22)19(9)6-2-3-14(20)21/h4-5,7-8H,2-3,6H2,1H3,(H,20,21)/b13-8+
InChIKey
ARRJRLYSWBZCCJ-MDWZMJQESA-N
Compound name
4-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.03815 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.04543 174.3
[M+Na]+ 363.02737 184.8
[M-H]- 339.03087 177.0
[M+NH4]+ 358.07197 188.1
[M+K]+ 379.00131 177.5
[M+H-H2O]+ 323.03541 167.5
[M+HCOO]- 385.03635 183.9
[M+CH3COO]- 399.05200 205.9
[M+Na-2H]- 361.01282 172.0
[M]+ 340.03760 178.6
[M]- 340.03870 178.6
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.