CID 135625308

2-hydroxylamino-5-ethyl-5-propylbarbituric acid

Structural Information

Molecular Formula
C9H15N3O3
SMILES
CCCC1(C(=O)NC(=NO)NC1=O)CC
InChI
InChI=1S/C9H15N3O3/c1-3-5-9(4-2)6(13)10-8(12-15)11-7(9)14/h15H,3-5H2,1-2H3,(H2,10,11,12,13,14)
InChIKey
XIMHYJMEMACSBZ-UHFFFAOYSA-N
Compound name
5-ethyl-2-hydroxyimino-5-propyl-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

515
Patents

213.11134 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.11862 147.2
[M+Na]+ 236.10056 154.4
[M-H]- 212.10406 145.4
[M+NH4]+ 231.14516 163.8
[M+K]+ 252.07450 151.2
[M+H-H2O]+ 196.10860 141.4
[M+HCOO]- 258.10954 164.0
[M+CH3COO]- 272.12519 183.9
[M+Na-2H]- 234.08601 151.1
[M]+ 213.11079 143.1
[M]- 213.11189 143.1
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