CID 20053

4101-98-8

Structural Information

Molecular Formula
C18H30N2O4
SMILES
CCCCCCCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)O
InChI
InChI=1S/C18H30N2O4/c1-2-3-4-5-6-7-8-15-16(22)19-18(24)20(17(15)23)13-9-11-14(21)12-10-13/h13-15,21H,2-12H2,1H3,(H,19,22,24)
InChIKey
VJWDELPKRRZFTM-UHFFFAOYSA-N
Compound name
1-(4-hydroxycyclohexyl)-5-octyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.22055 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.22783 185.1
[M+Na]+ 361.20977 188.0
[M-H]- 337.21327 184.5
[M+NH4]+ 356.25437 194.5
[M+K]+ 377.18371 183.1
[M+H-H2O]+ 321.21781 176.3
[M+HCOO]- 383.21875 195.0
[M+CH3COO]- 397.23440 208.9
[M+Na-2H]- 359.19522 180.9
[M]+ 338.22000 180.0
[M]- 338.22110 180.0
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.