CID 135417101

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

Structural Information

Molecular Formula
C15H19N3O3
SMILES
CCC1(C(=NC2=CC=C(C=C2)OC)NC(=O)NC1=O)CC
InChI
InChI=1S/C15H19N3O3/c1-4-15(5-2)12(17-14(20)18-13(15)19)16-10-6-8-11(21-3)9-7-10/h6-9H,4-5H2,1-3H3,(H2,16,17,18,19,20)
InChIKey
QHVCBWDCXLYOAU-UHFFFAOYSA-N
Compound name
5,5-diethyl-6-(4-methoxyphenyl)imino-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.14264 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14992 168.3
[M+Na]+ 312.13186 179.3
[M+NH4]+ 307.17646 174.9
[M+K]+ 328.10580 171.6
[M-H]- 288.13536 169.7
[M+Na-2H]- 310.11731 174.2
[M]+ 289.14209 170.0
[M]- 289.14319 170.0
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.