CID 3039158

1-piperazinecarboxylic acid, 4-(tetrahydro-2,4,6-trioxo-1(2h)-pyrimidinyl)-, cyclohexyl ester

Structural Information

Molecular Formula
C15H22N4O5
SMILES
C1CCC(CC1)OC(=O)N2CCN(CC2)N3C(=O)CC(=O)NC3=O
InChI
InChI=1S/C15H22N4O5/c20-12-10-13(21)19(14(22)16-12)18-8-6-17(7-9-18)15(23)24-11-4-2-1-3-5-11/h11H,1-10H2,(H,16,20,22)
InChIKey
RTWOMLBKUBAAIN-UHFFFAOYSA-N
Compound name
cyclohexyl 4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.15903 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.16631 182.2
[M+Na]+ 361.14825 184.0
[M-H]- 337.15175 183.0
[M+NH4]+ 356.19285 188.1
[M+K]+ 377.12219 180.6
[M+H-H2O]+ 321.15629 170.8
[M+HCOO]- 383.15723 188.1
[M+CH3COO]- 397.17288 205.6
[M+Na-2H]- 359.13370 178.8
[M]+ 338.15848 171.6
[M]- 338.15958 171.6
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.