CID 212399

24269-53-2

Structural Information

Molecular Formula
C18H35N3O2
SMILES
CCOC(=O)N1CCN(CC1)CCN(C2CCCCC2)C(C)C
InChI
InChI=1S/C18H35N3O2/c1-4-23-18(22)20-13-10-19(11-14-20)12-15-21(16(2)3)17-8-6-5-7-9-17/h16-17H,4-15H2,1-3H3
InChIKey
BYYBXLDMTYKXTK-UHFFFAOYSA-N
Compound name
ethyl 4-[2-[cyclohexyl(propan-2-yl)amino]ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.27292 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.28020 184.6
[M+Na]+ 348.26214 183.2
[M-H]- 324.26564 186.8
[M+NH4]+ 343.30674 195.4
[M+K]+ 364.23608 182.2
[M+H-H2O]+ 308.27018 174.2
[M+HCOO]- 370.27112 196.4
[M+CH3COO]- 384.28677 214.6
[M+Na-2H]- 346.24759 181.3
[M]+ 325.27237 179.2
[M]- 325.27347 179.2
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.