CID 58428

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

Structural Information

Molecular Formula
C14H21ClN2O2
SMILES
CCN(CC)CCNC(=O)OCC1=CC=CC=C1Cl
InChI
InChI=1S/C14H21ClN2O2/c1-3-17(4-2)10-9-16-14(18)19-11-12-7-5-6-8-13(12)15/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKey
DDSWAQYHNWCJIK-UHFFFAOYSA-N
Compound name
(2-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]+ 285.136426 167.6
[M+Na]+ 307.118368 173.1
[M-H]- 283.121874 171.9
[M+NH4]+ 302.162973 184.5
[M+K]+ 323.092308 170.2
[M+H-H2O]+ 267.126410 160.9
[M+HCOO]- 329.127351 188.2
[M+CH3COO]- 343.143001 207.2
[M+Na-2H]- 305.103816 170.4
[M]+ 284.12860142 173.0
[M]- 284.12969858 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.