CID 135463978

5,5-diethyl-4-(4-methylphenyl)iminobarbituric acid

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CCC1(C(=NC2=CC=C(C=C2)C)NC(=O)NC1=O)CC
InChI
InChI=1S/C15H19N3O2/c1-4-15(5-2)12(17-14(20)18-13(15)19)16-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3,(H2,16,17,18,19,20)
InChIKey
JPPGTFGEWNMNTB-UHFFFAOYSA-N
Compound name
5,5-diethyl-6-(4-methylphenyl)imino-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

273.14774 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.155016 164.4
[M+Na]+ 296.136958 171.9
[M-H]- 272.140464 167.1
[M+NH4]+ 291.181563 179.3
[M+K]+ 312.110898 166.8
[M+H-H2O]+ 256.145000 156.5
[M+HCOO]- 318.145941 182.1
[M+CH3COO]- 332.161591 199.2
[M+Na-2H]- 294.122406 167.4
[M]+ 273.14719142 160.7
[M]- 273.14828858 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

literature stripe

Patent stripe

No patent data available for this compound.