CID 49866821

Db03998

Structural Information

Molecular Formula
C13H13N3O4
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)N(C(=N2)CN)CC(=O)O)O
InChI
InChI=1S/C13H13N3O4/c14-6-11-15-10(13(20)16(11)7-12(18)19)5-8-1-3-9(17)4-2-8/h1-5,17H,6-7,14H2,(H,18,19)/b10-5-
InChIKey
IZZXWFHPOZIXIE-YHYXMXQVSA-N
Compound name
2-[(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0906 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.09788 161.2
[M+Na]+ 298.07982 169.1
[M-H]- 274.08332 163.0
[M+NH4]+ 293.12442 174.6
[M+K]+ 314.05376 164.6
[M+H-H2O]+ 258.08786 153.4
[M+HCOO]- 320.08880 180.3
[M+CH3COO]- 334.10445 195.3
[M+Na-2H]- 296.06527 160.9
[M]+ 275.09005 159.3
[M]- 275.09115 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.