CID 58446

3-phenylpropyl n-(2-(diethylamino)ethyl)carbamate hydrochloride

Structural Information

Molecular Formula
C16H26N2O2
SMILES
CCN(CC)CCNC(=O)OCCCC1=CC=CC=C1
InChI
InChI=1S/C16H26N2O2/c1-3-18(4-2)13-12-17-16(19)20-14-8-11-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3,(H,17,19)
InChIKey
ORYAFNDCJQTZTR-UHFFFAOYSA-N
Compound name
3-phenylpropyl N-[2-(diethylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.206706 170.4
[M+Na]+ 301.188648 173.2
[M-H]- 277.192154 174.1
[M+NH4]+ 296.233253 186.3
[M+K]+ 317.162588 171.9
[M+H-H2O]+ 261.196690 162.1
[M+HCOO]- 323.197631 194.8
[M+CH3COO]- 337.213281 208.4
[M+Na-2H]- 299.174096 173.4
[M]+ 278.19888142 173.9
[M]- 278.19997858 173.9
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.