CID 13954

1038-85-3

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C17H20N2O3/c1-12-15(20)18(13-8-4-2-5-9-13)17(22)19(16(12)21)14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3
InChIKey
IFXAQRYOAKJCMN-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1474 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.154676 171.7
[M+Na]+ 323.136618 177.3
[M-H]- 299.140124 177.8
[M+NH4]+ 318.181223 183.5
[M+K]+ 339.110558 172.9
[M+H-H2O]+ 283.144660 161.5
[M+HCOO]- 345.145601 186.1
[M+CH3COO]- 359.161251 204.4
[M+Na-2H]- 321.122066 170.9
[M]+ 300.14685142 165.7
[M]- 300.14794858 165.7
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.