CID 32270

Carbamic acid, (4-(4-(2-(diethylamino)ethyl)-1-piperazinyl)butyl)-, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C17H36N4O2
SMILES
CCN(CC)CCN1CCN(CC1)CCCCNC(=O)OCC
InChI
InChI=1S/C17H36N4O2/c1-4-19(5-2)11-12-21-15-13-20(14-16-21)10-8-7-9-18-17(22)23-6-3/h4-16H2,1-3H3,(H,18,22)
InChIKey
CBAJXJMUYOFJJQ-UHFFFAOYSA-N
Compound name
ethyl N-[4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]butyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.2838 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.29108 186.2
[M+Na]+ 351.27302 186.4
[M-H]- 327.27652 186.0
[M+NH4]+ 346.31762 197.4
[M+K]+ 367.24696 185.3
[M+H-H2O]+ 311.28106 176.2
[M+HCOO]- 373.28200 203.3
[M+CH3COO]- 387.29765 219.0
[M+Na-2H]- 349.25847 185.5
[M]+ 328.28325 187.2
[M]- 328.28435 187.2
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.