CID 6447270

1h-imidazole-1-butanoic acid, 4,5-dihydro-2-methyl-5-oxo-4-(phenylmethylene)-

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CC1=N/C(=C/C2=CC=CC=C2)/C(=O)N1CCCC(=O)O
InChI
InChI=1S/C15H16N2O3/c1-11-16-13(10-12-6-3-2-4-7-12)15(20)17(11)9-5-8-14(18)19/h2-4,6-7,10H,5,8-9H2,1H3,(H,18,19)/b13-10+
InChIKey
LUULOQVSOKBMEV-JLHYYAGUSA-N
Compound name
4-[(4E)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1161 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 162.7
[M+Na]+ 295.10532 170.5
[M-H]- 271.10882 165.6
[M+NH4]+ 290.14992 177.4
[M+K]+ 311.07926 166.0
[M+H-H2O]+ 255.11336 154.5
[M+HCOO]- 317.11430 182.1
[M+CH3COO]- 331.12995 195.4
[M+Na-2H]- 293.09077 162.9
[M]+ 272.11555 163.3
[M]- 272.11665 163.3
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.