CID 212488

24311-77-1

Structural Information

Molecular Formula
C22H41N3O2
SMILES
CCCOC(=O)N1CCN(CC1)CCN(C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C22H41N3O2/c1-2-19-27-22(26)24-16-13-23(14-17-24)15-18-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h20-21H,2-19H2,1H3
InChIKey
IBQVVCDQMKJDDW-UHFFFAOYSA-N
Compound name
propyl 4-[2-(dicyclohexylamino)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.3199 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.32718 198.6
[M+Na]+ 402.30912 193.6
[M-H]- 378.31262 202.1
[M+NH4]+ 397.35372 206.1
[M+K]+ 418.28306 191.2
[M+H-H2O]+ 362.31716 186.2
[M+HCOO]- 424.31810 206.8
[M+CH3COO]- 438.33375 222.6
[M+Na-2H]- 400.29457 193.7
[M]+ 379.31935 188.0
[M]- 379.32045 188.0
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.