CID 6447275

73043-43-3

Structural Information

Molecular Formula
C14H13ClN2O3
SMILES
CC1=N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)N1CCC(=O)O
InChI
InChI=1S/C14H13ClN2O3/c1-9-16-12(8-10-2-4-11(15)5-3-10)14(20)17(9)7-6-13(18)19/h2-5,8H,6-7H2,1H3,(H,18,19)/b12-8+
InChIKey
ROWUQBHZOYMZRF-XYOKQWHBSA-N
Compound name
3-[(4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.06146 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06874 164.3
[M+Na]+ 315.05068 174.1
[M-H]- 291.05418 167.5
[M+NH4]+ 310.09528 179.3
[M+K]+ 331.02462 168.1
[M+H-H2O]+ 275.05872 157.1
[M+HCOO]- 337.05966 179.4
[M+CH3COO]- 351.07531 197.4
[M+Na-2H]- 313.03613 163.9
[M]+ 292.06091 166.9
[M]- 292.06201 166.9
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

No patent data available for this compound.