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]+ 263.10265 159.7
[M+Na]+ 285.08459 170.0
[M+NH4]+ 280.12919 165.7
[M+K]+ 301.05853 164.2
[M-H]- 261.08809 159.1
[M+Na-2H]- 283.07004 164.6
[M]+ 262.09482 160.7
[M]- 262.09592 160.7
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.