CID 48583

Brn 0261403

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CC(=CCC1(C(=O)NC(=O)NC1=O)CC2=CC=CC=C2)C
InChI
InChI=1S/C16H18N2O3/c1-11(2)8-9-16(10-12-6-4-3-5-7-12)13(19)17-15(21)18-14(16)20/h3-8H,9-10H2,1-2H3,(H2,17,18,19,20,21)
InChIKey
DJIBGLDEWISRAV-UHFFFAOYSA-N
Compound name
5-benzyl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 167.4
[M+Na]+ 309.12096 173.7
[M-H]- 285.12446 168.2
[M+NH4]+ 304.16556 180.7
[M+K]+ 325.09490 168.1
[M+H-H2O]+ 269.12900 159.7
[M+HCOO]- 331.12994 181.5
[M+CH3COO]- 345.14559 195.8
[M+Na-2H]- 307.10641 168.5
[M]+ 286.13119 162.6
[M]- 286.13229 162.6
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.