CID 131769979

Phenytoin methylcatechol

Structural Information

Molecular Formula
C16H12N2O4
SMILES
C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC(=C(C=C3)O)C=O
InChI
InChI=1S/C16H12N2O4/c19-9-10-8-12(6-7-13(10)20)16(11-4-2-1-3-5-11)14(21)17-15(22)18-16/h1-9,20H,(H2,17,18,21,22)
InChIKey
IVKHYRHKQDQYFC-UHFFFAOYSA-N
Compound name
5-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

14
Patents

296.0797 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08698 166.3
[M+Na]+ 319.06892 175.0
[M-H]- 295.07242 170.4
[M+NH4]+ 314.11352 180.2
[M+K]+ 335.04286 168.6
[M+H-H2O]+ 279.07696 158.3
[M+HCOO]- 341.07790 183.5
[M+CH3COO]- 355.09355 193.1
[M+Na-2H]- 317.05437 168.2
[M]+ 296.07915 162.5
[M]- 296.08025 162.5
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

patents stripe