CID 18715460

Tert-butyl 4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-1-carboxylate

Structural Information

Molecular Formula
C17H31N3O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)N2CCN(CC2)C
InChI
InChI=1S/C17H31N3O3/c1-17(2,3)23-16(22)20-7-5-14(6-8-20)13-15(21)19-11-9-18(4)10-12-19/h14H,5-13H2,1-4H3
InChIKey
KGALMZVJHJLFEU-UHFFFAOYSA-N
Compound name
tert-butyl 4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

325.23654 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.24382 183.1
[M+Na]+ 348.22576 184.7
[M-H]- 324.22926 183.6
[M+NH4]+ 343.27036 192.7
[M+K]+ 364.19970 182.9
[M+H-H2O]+ 308.23380 173.7
[M+HCOO]- 370.23474 191.2
[M+CH3COO]- 384.25039 207.7
[M+Na-2H]- 346.21121 181.0
[M]+ 325.23599 177.9
[M]- 325.23709 177.9
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

patents stripe