CID 13980

1051-12-3

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CCCCCC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C21H28N2O3/c1-2-3-6-15-18-19(24)22(16-11-7-4-8-12-16)21(26)23(20(18)25)17-13-9-5-10-14-17/h4,7-8,11-12,17-18H,2-3,5-6,9-10,13-15H2,1H3
InChIKey
LNEBZBLNLNQKSU-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-pentyl-3-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.21 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.217276 189.2
[M+Na]+ 379.199218 192.9
[M-H]- 355.202724 194.4
[M+NH4]+ 374.243823 198.6
[M+K]+ 395.173158 187.6
[M+H-H2O]+ 339.207260 178.0
[M+HCOO]- 401.208201 202.1
[M+CH3COO]- 415.223851 216.2
[M+Na-2H]- 377.184666 186.3
[M]+ 356.20945142 184.4
[M]- 356.21054858 184.4
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.