CID 48598

66942-13-0

Structural Information

Molecular Formula
C14H15BrN2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Br)CC
InChI
InChI=1S/C14H15BrN2O3/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
RMGTWDQPJXJMOE-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.0266 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.03388 163.5
[M+Na]+ 361.01582 175.3
[M-H]- 337.01932 169.1
[M+NH4]+ 356.06042 180.0
[M+K]+ 376.98976 162.9
[M+H-H2O]+ 321.02386 162.6
[M+HCOO]- 383.02480 178.5
[M+CH3COO]- 397.04045 204.2
[M+Na-2H]- 359.00127 167.4
[M]+ 338.02605 181.0
[M]- 338.02715 181.0
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.