CID 212373

1-piperazinecarboxylic acid, 4-(2-(cyclohexylamino)ethyl)-, cyclohexyl ester, hydrochloride

Structural Information

Molecular Formula
C19H35N3O2
SMILES
C1CCC(CC1)NCCN2CCN(CC2)C(=O)OC3CCCCC3
InChI
InChI=1S/C19H35N3O2/c23-19(24-18-9-5-2-6-10-18)22-15-13-21(14-16-22)12-11-20-17-7-3-1-4-8-17/h17-18,20H,1-16H2
InChIKey
LNHJOVZXKVWXQX-UHFFFAOYSA-N
Compound name
cyclohexyl 4-[2-(cyclohexylamino)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.27292 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.28020 185.9
[M+Na]+ 360.26214 182.1
[M-H]- 336.26564 188.6
[M+NH4]+ 355.30674 194.5
[M+K]+ 376.23608 179.0
[M+H-H2O]+ 320.27018 174.1
[M+HCOO]- 382.27112 194.7
[M+CH3COO]- 396.28677 210.6
[M+Na-2H]- 358.24759 183.2
[M]+ 337.27237 173.1
[M]- 337.27347 173.1
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.