CID 40833

53632-50-1

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CC(=O)CC1(C(=O)NC(=O)N(C1=O)C2CCCCC2)CC=C
InChI
InChI=1S/C16H22N2O4/c1-3-9-16(10-11(2)19)13(20)17-15(22)18(14(16)21)12-7-5-4-6-8-12/h3,12H,1,4-10H2,2H3,(H,17,20,22)
InChIKey
ZJSORIKEFVSKCL-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-(2-oxopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.15796 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.165236 171.3
[M+Na]+ 329.147178 175.9
[M-H]- 305.150684 172.6
[M+NH4]+ 324.191783 184.3
[M+K]+ 345.121118 172.0
[M+H-H2O]+ 289.155220 163.7
[M+HCOO]- 351.156161 182.8
[M+CH3COO]- 365.171811 202.9
[M+Na-2H]- 327.132626 169.6
[M]+ 306.15741142 165.3
[M]- 306.15850858 165.3
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.