CID 121454

3'-hydroxyamobarbital

Structural Information

Molecular Formula
C11H18N2O4
SMILES
CCC1(C(=O)NC(=O)NC1=O)CCC(C)(C)O
InChI
InChI=1S/C11H18N2O4/c1-4-11(6-5-10(2,3)17)7(14)12-9(16)13-8(11)15/h17H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKey
PUVZPWLDMBLALZ-UHFFFAOYSA-N
Compound name
5-ethyl-5-(3-hydroxy-3-methylbutyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

242.12666 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13394 155.7
[M+Na]+ 265.11588 163.5
[M+NH4]+ 260.16048 160.7
[M+K]+ 281.08982 159.1
[M-H]- 241.11938 151.8
[M+Na-2H]- 263.10133 157.3
[M]+ 242.12611 155.3
[M]- 242.12721 155.3
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