CID 13307

846-27-5

Structural Information

Molecular Formula
C16H18N2O3
SMILES
C1CCC(CC1)N2C(=O)C(C(=O)NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C16H18N2O3/c19-14-13(11-7-3-1-4-8-11)15(20)18(16(21)17-14)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,17,19,21)
InChIKey
TXYPRTVAKXGQFA-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

286.13174 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.139016 167.9
[M+Na]+ 309.120958 172.6
[M-H]- 285.124464 172.4
[M+NH4]+ 304.165563 179.3
[M+K]+ 325.094898 167.5
[M+H-H2O]+ 269.129000 157.9
[M+HCOO]- 331.129941 181.1
[M+CH3COO]- 345.145591 197.8
[M+Na-2H]- 307.106406 167.9
[M]+ 286.13119142 159.3
[M]- 286.13228858 159.3
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

patents stripe