CID 30041

2,4,6-trichlorocarbanilic acid 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C13H17Cl3N2O2
SMILES
CCN(CC)CCOC(=O)NC1=C(C=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C13H17Cl3N2O2/c1-3-18(4-2)5-6-20-13(19)17-12-10(15)7-9(14)8-11(12)16/h7-8H,3-6H2,1-2H3,(H,17,19)
InChIKey
FNYQRVGPOGRYFA-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-(2,4,6-trichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.03555 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.04283 173.4
[M+Na]+ 361.02477 185.5
[M+NH4]+ 356.06937 180.7
[M+K]+ 376.99871 177.9
[M-H]- 337.02827 175.4
[M+Na-2H]- 359.01022 178.3
[M]+ 338.03500 176.4
[M]- 338.03610 176.4
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.