CID 133152

4-hydroxymephobarbital

Structural Information

Molecular Formula
C13H14N2O4
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C)C2=CC=C(C=C2)O
InChI
InChI=1S/C13H14N2O4/c1-3-13(8-4-6-9(16)7-5-8)10(17)14-12(19)15(2)11(13)18/h4-7,16H,3H2,1-2H3,(H,14,17,19)
InChIKey
ARGUVULFWSAUDV-UHFFFAOYSA-N
Compound name
5-ethyl-5-(4-hydroxyphenyl)-1-methyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.09537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10265 157.3
[M+Na]+ 285.08459 166.6
[M-H]- 261.08809 159.4
[M+NH4]+ 280.12919 172.3
[M+K]+ 301.05853 162.5
[M+H-H2O]+ 245.09263 150.3
[M+HCOO]- 307.09357 173.4
[M+CH3COO]- 321.10922 192.1
[M+Na-2H]- 283.07004 160.0
[M]+ 262.09482 155.2
[M]- 262.09592 155.2
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.