CID 6447285

73043-51-3

Structural Information

Molecular Formula
C15H16N2O4
SMILES
CC1=N/C(=C/C2=CC=C(C=C2)O)/C(=O)N1CCCC(=O)O
InChI
InChI=1S/C15H16N2O4/c1-10-16-13(9-11-4-6-12(18)7-5-11)15(21)17(10)8-2-3-14(19)20/h4-7,9,18H,2-3,8H2,1H3,(H,19,20)/b13-9+
InChIKey
CKZKOMRDFLQRMR-UKTHLTGXSA-N
Compound name
4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.111 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.118276 165.7
[M+Na]+ 311.100218 173.8
[M-H]- 287.103724 167.6
[M+NH4]+ 306.144823 179.2
[M+K]+ 327.074158 169.1
[M+H-H2O]+ 271.108260 158.0
[M+HCOO]- 333.109201 183.8
[M+CH3COO]- 347.124851 196.5
[M+Na-2H]- 309.085666 164.9
[M]+ 288.11045142 166.3
[M]- 288.11154858 166.3
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

patents stripe