CID 59243

Brn 0317275

Structural Information

Molecular Formula
C18H31N3O3
SMILES
CCCCCCCC1(C(=O)NC(=O)NC1=O)CCN2CCCCC2
InChI
InChI=1S/C18H31N3O3/c1-2-3-4-5-7-10-18(11-14-21-12-8-6-9-13-21)15(22)19-17(24)20-16(18)23/h2-14H2,1H3,(H2,19,20,22,23,24)
InChIKey
XLQPEKLKRKRRKS-UHFFFAOYSA-N
Compound name
5-heptyl-5-(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.23654 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24382 186.2
[M+Na]+ 360.22576 188.4
[M-H]- 336.22926 183.7
[M+NH4]+ 355.27036 195.8
[M+K]+ 376.19970 183.0
[M+H-H2O]+ 320.23380 176.9
[M+HCOO]- 382.23474 194.6
[M+CH3COO]- 396.25039 206.4
[M+Na-2H]- 358.21121 184.4
[M]+ 337.23599 179.7
[M]- 337.23709 179.7
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.