CID 135744228

5,5-diethyl-4-(2-chlorophenyl)iminobarbituric acid

Structural Information

Molecular Formula
C15H18ClN3O2
SMILES
CCC1(C(=NC2=CC(=CC=C2)Cl)NC(=O)N(C1=O)C)CC
InChI
InChI=1S/C15H18ClN3O2/c1-4-15(5-2)12(18-14(21)19(3)13(15)20)17-11-8-6-7-10(16)9-11/h6-9H,4-5H2,1-3H3,(H,17,18,21)
InChIKey
AVPQXQPDGIWWJW-UHFFFAOYSA-N
Compound name
6-(3-chlorophenyl)imino-5,5-diethyl-3-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.10876 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11604 169.7
[M+Na]+ 330.09798 183.0
[M+NH4]+ 325.14258 177.6
[M+K]+ 346.07192 173.8
[M-H]- 306.10148 172.3
[M+Na-2H]- 328.08343 176.6
[M]+ 307.10821 172.6
[M]- 307.10931 172.6
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.