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]+ 307.084396 168.8
[M+Na]+ 329.066338 178.2
[M-H]- 305.069844 171.9
[M+NH4]+ 324.110943 183.3
[M+K]+ 345.040278 172.0
[M+H-H2O]+ 289.074380 161.4
[M+HCOO]- 351.075321 183.6
[M+CH3COO]- 365.090971 200.4
[M+Na-2H]- 327.051786 167.9
[M]+ 306.07657142 171.8
[M]- 306.07766858 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.