CID 212413

24269-60-1

Structural Information

Molecular Formula
C18H37N3O2
SMILES
CCCCN(CCCC)CCN1CCN(CC1)C(=O)OC(C)C
InChI
InChI=1S/C18H37N3O2/c1-5-7-9-19(10-8-6-2)11-12-20-13-15-21(16-14-20)18(22)23-17(3)4/h17H,5-16H2,1-4H3
InChIKey
GDWGEGBLDLAVLG-UHFFFAOYSA-N
Compound name
propan-2-yl 4-[2-(dibutylamino)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.28857 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.29585 185.5
[M+Na]+ 350.27779 192.0
[M+NH4]+ 345.32239 190.3
[M+K]+ 366.25173 186.7
[M-H]- 326.28129 185.1
[M+Na-2H]- 348.26324 186.2
[M]+ 327.28802 185.8
[M]- 327.28912 185.8
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.