CID 212494

24312-02-5

Structural Information

Molecular Formula
C21H41N3O2
SMILES
CCCCN(CCCC)CCN1CCN(CC1)C(=O)OC2CCCCC2
InChI
InChI=1S/C21H41N3O2/c1-3-5-12-22(13-6-4-2)14-15-23-16-18-24(19-17-23)21(25)26-20-10-8-7-9-11-20/h20H,3-19H2,1-2H3
InChIKey
FPZMLKGJXSBGJR-UHFFFAOYSA-N
Compound name
cyclohexyl 4-[2-(dibutylamino)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.3199 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.32718 197.6
[M+Na]+ 390.30912 195.0
[M-H]- 366.31262 199.0
[M+NH4]+ 385.35372 206.6
[M+K]+ 406.28306 192.9
[M+H-H2O]+ 350.31716 186.3
[M+HCOO]- 412.31810 209.3
[M+CH3COO]- 426.33375 222.6
[M+Na-2H]- 388.29457 193.8
[M]+ 367.31935 193.8
[M]- 367.32045 193.8
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.