CID 28338

17148-41-3

Structural Information

Molecular Formula
C14H22N2O4
SMILES
C1CCC(CC1)N2C(=O)C(C(=O)NC2=O)CCCCO
InChI
InChI=1S/C14H22N2O4/c17-9-5-4-8-11-12(18)15-14(20)16(13(11)19)10-6-2-1-3-7-10/h10-11,17H,1-9H2,(H,15,18,20)
InChIKey
NUDMKHGPEOQYDI-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-(4-hydroxybutyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.15796 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.165236 168.0
[M+Na]+ 305.147178 171.8
[M-H]- 281.150684 167.8
[M+NH4]+ 300.191783 179.4
[M+K]+ 321.121118 167.6
[M+H-H2O]+ 265.155220 159.7
[M+HCOO]- 327.156161 179.3
[M+CH3COO]- 341.171811 195.6
[M+Na-2H]- 303.132626 166.4
[M]+ 282.15741142 161.1
[M]- 282.15850858 161.1
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.