CID 100280

25860-53-1

Structural Information

Molecular Formula
C13H14N2O4
SMILES
CC(CC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2)O
InChI
InChI=1S/C13H14N2O4/c1-8(16)7-13(9-5-3-2-4-6-9)10(17)14-12(19)15-11(13)18/h2-6,8,16H,7H2,1H3,(H2,14,15,17,18,19)
InChIKey
AVAMLOLQCXVPQH-UHFFFAOYSA-N
Compound name
5-(2-hydroxypropyl)-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.09537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.102646 159.0
[M+Na]+ 285.084588 165.7
[M-H]- 261.088094 158.9
[M+NH4]+ 280.129193 172.5
[M+K]+ 301.058528 161.2
[M+H-H2O]+ 245.092630 151.8
[M+HCOO]- 307.093571 172.5
[M+CH3COO]- 321.109221 188.2
[M+Na-2H]- 283.070036 161.3
[M]+ 262.09482142 153.6
[M]- 262.09591858 153.6
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

No patent data available for this compound.