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 187.7
[M+Na]+ 350.27779 188.3
[M-H]- 326.28129 187.5
[M+NH4]+ 345.32239 199.3
[M+K]+ 366.25173 187.4
[M+H-H2O]+ 310.28583 178.1
[M+HCOO]- 372.28677 202.5
[M+CH3COO]- 386.30242 217.8
[M+Na-2H]- 348.26324 184.8
[M]+ 327.28802 189.3
[M]- 327.28912 189.3
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.