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

No literature data available for this compound.

Patent stripe

patents stripe