CID 6447281

73043-49-9

Structural Information

Molecular Formula
C15H15ClN2O3
SMILES
CC1=N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)N1CCCC(=O)O
InChI
InChI=1S/C15H15ClN2O3/c1-10-17-13(9-11-4-6-12(16)7-5-11)15(21)18(10)8-2-3-14(19)20/h4-7,9H,2-3,8H2,1H3,(H,19,20)/b13-9+
InChIKey
JPDCUIJNUMZXGP-UKTHLTGXSA-N
Compound name
4-[(4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.07712 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08440 168.8
[M+Na]+ 329.06634 178.2
[M-H]- 305.06984 171.9
[M+NH4]+ 324.11094 183.3
[M+K]+ 345.04028 172.0
[M+H-H2O]+ 289.07438 161.4
[M+HCOO]- 351.07532 183.6
[M+CH3COO]- 365.09097 200.4
[M+Na-2H]- 327.05179 167.9
[M]+ 306.07657 171.8
[M]- 306.07767 171.8
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.