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 169.3
[M+Na]+ 330.09798 178.7
[M-H]- 306.10148 173.4
[M+NH4]+ 325.14258 184.6
[M+K]+ 346.07192 172.8
[M+H-H2O]+ 290.10602 161.8
[M+HCOO]- 352.10696 183.8
[M+CH3COO]- 366.12261 206.5
[M+Na-2H]- 328.08343 171.6
[M]+ 307.10821 169.8
[M]- 307.10931 169.8
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.