CID 48597

66942-12-9

Structural Information

Molecular Formula
C18H21BrN2O4
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C(=O)C(CC)(CC)Br)C2=CC=CC=C2
InChI
InChI=1S/C18H21BrN2O4/c1-4-17(19,5-2)14(23)21-15(24)18(6-3,13(22)20-16(21)25)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3,(H,20,22,25)
InChIKey
AOKKLCFTAKKMGR-UHFFFAOYSA-N
Compound name
1-(2-bromo-2-ethylbutanoyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.06848 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.07576 182.7
[M+Na]+ 431.05770 192.1
[M-H]- 407.06120 187.6
[M+NH4]+ 426.10230 196.1
[M+K]+ 447.03164 180.0
[M+H-H2O]+ 391.06574 181.7
[M+HCOO]- 453.06668 194.3
[M+CH3COO]- 467.08233 216.0
[M+Na-2H]- 429.04315 185.4
[M]+ 408.06793 200.7
[M]- 408.06903 200.7
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.