CID 58430

P-chlorobenzyl n-(2-(diethylamino)ethyl)carbamate hydrochloride

Structural Information

Molecular Formula
C14H21ClN2O2
SMILES
CCN(CC)CCNC(=O)OCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C14H21ClN2O2/c1-3-17(4-2)10-9-16-14(18)19-11-12-5-7-13(15)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKey
BBRBMOXEQCBPKW-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)methyl N-[2-(diethylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.12915 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13643 167.6
[M+Na]+ 307.11837 173.1
[M-H]- 283.12187 171.9
[M+NH4]+ 302.16297 184.5
[M+K]+ 323.09231 170.2
[M+H-H2O]+ 267.12641 160.9
[M+HCOO]- 329.12735 188.2
[M+CH3COO]- 343.14300 207.2
[M+Na-2H]- 305.10382 170.4
[M]+ 284.12860 173.0
[M]- 284.12970 173.0
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.