CID 135463952

Brn 5598523

Structural Information

Molecular Formula
C16H20ClN3O2
SMILES
CCCC1(C(=NC2=CC(=CC=C2)Cl)NC(=O)NC1=O)CCC
InChI
InChI=1S/C16H20ClN3O2/c1-3-8-16(9-4-2)13(19-15(22)20-14(16)21)18-12-7-5-6-11(17)10-12/h5-7,10H,3-4,8-9H2,1-2H3,(H2,18,19,20,21,22)
InChIKey
VKUMEPIVBIVKIL-UHFFFAOYSA-N
Compound name
6-(3-chlorophenyl)imino-5,5-dipropyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1244 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.13168 174.7
[M+Na]+ 344.11362 186.7
[M+NH4]+ 339.15822 181.9
[M+K]+ 360.08756 177.4
[M-H]- 320.11712 176.6
[M+Na-2H]- 342.09907 180.9
[M]+ 321.12385 177.0
[M]- 321.12495 177.0
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.