CID 212419

24269-63-4

Structural Information

Molecular Formula
C20H39N3O2
SMILES
CCCCN(CCN1CCN(CC1)C(=O)OC(C)C)C2CCCCC2
InChI
InChI=1S/C20H39N3O2/c1-4-5-11-22(19-9-7-6-8-10-19)15-12-21-13-16-23(17-14-21)20(24)25-18(2)3/h18-19H,4-17H2,1-3H3
InChIKey
ZEEUYPSPZWUWFS-UHFFFAOYSA-N
Compound name
propan-2-yl 4-[2-[butyl(cyclohexyl)amino]ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.30423 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.31151 193.3
[M+Na]+ 376.29345 191.0
[M-H]- 352.29695 195.1
[M+NH4]+ 371.33805 202.9
[M+K]+ 392.26739 189.6
[M+H-H2O]+ 336.30149 182.5
[M+HCOO]- 398.30243 204.4
[M+CH3COO]- 412.31808 220.5
[M+Na-2H]- 374.27890 188.9
[M]+ 353.30368 188.6
[M]- 353.30478 188.6
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.