CID 48393

Brn 0269944

Structural Information

Molecular Formula
C14H15ClN2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl)CC
InChI
InChI=1S/C14H15ClN2O3/c1-3-14(4-2)11(18)16-13(20)17(12(14)19)10-7-5-9(15)6-8-10/h5-8H,3-4H2,1-2H3,(H,16,18,20)
InChIKey
ZSTXEPXDPBFCTC-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.07712 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08440 162.9
[M+Na]+ 317.06634 173.0
[M-H]- 293.06984 166.0
[M+NH4]+ 312.11094 178.3
[M+K]+ 333.04028 167.2
[M+H-H2O]+ 277.07438 156.1
[M+HCOO]- 339.07532 175.5
[M+CH3COO]- 353.09097 198.9
[M+Na-2H]- 315.05179 165.1
[M]+ 294.07657 163.4
[M]- 294.07767 163.4
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.