CID 6447273

73043-38-6

Structural Information

Molecular Formula
C13H12N2O3
SMILES
CC1=N/C(=C/C2=CC=CC=C2)/C(=O)N1CC(=O)O
InChI
InChI=1S/C13H12N2O3/c1-9-14-11(7-10-5-3-2-4-6-10)13(18)15(9)8-12(16)17/h2-7H,8H2,1H3,(H,16,17)/b11-7+
InChIKey
QQHQREVRBGUXCZ-YRNVUSSQSA-N
Compound name
2-[(4E)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0848 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 153.6
[M+Na]+ 267.07402 162.3
[M-H]- 243.07752 156.9
[M+NH4]+ 262.11862 169.5
[M+K]+ 283.04796 158.2
[M+H-H2O]+ 227.08206 145.9
[M+HCOO]- 289.08300 173.7
[M+CH3COO]- 303.09865 189.4
[M+Na-2H]- 265.05947 154.9
[M]+ 244.08425 153.5
[M]- 244.08535 153.5
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.