CID 30016

3-chloro-4-methylcarbanilic acid 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C14H21ClN2O2
SMILES
CCN(CC)CCOC(=O)NC1=CC(=C(C=C1)C)Cl
InChI
InChI=1S/C14H21ClN2O2/c1-4-17(5-2)8-9-19-14(18)16-12-7-6-11(3)13(15)10-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKey
UMKHGIXMXBAZQZ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-(3-chloro-4-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.12915 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13643 166.2
[M+Na]+ 307.11837 177.1
[M+NH4]+ 302.16297 173.4
[M+K]+ 323.09231 170.3
[M-H]- 283.12187 168.8
[M+Na-2H]- 305.10382 171.4
[M]+ 284.12860 168.5
[M]- 284.12970 168.5
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.