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

2
Patents

288.111 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11828 165.7
[M+Na]+ 311.10022 173.8
[M-H]- 287.10372 167.6
[M+NH4]+ 306.14482 179.2
[M+K]+ 327.07416 169.1
[M+H-H2O]+ 271.10826 158.0
[M+HCOO]- 333.10920 183.8
[M+CH3COO]- 347.12485 196.5
[M+Na-2H]- 309.08567 164.9
[M]+ 288.11045 166.3
[M]- 288.11155 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