CID 6447270

Brn 0812168

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 164.4
[M+Na]+ 295.10532 175.6
[M+NH4]+ 290.14992 169.8
[M+K]+ 311.07926 171.7
[M-H]- 271.10882 164.8
[M+Na-2H]- 293.09077 168.7
[M]+ 272.11555 165.7
[M]- 272.11665 165.7
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.