CID 28055

K 901

Structural Information

Molecular Formula
C13H18Cl2N2O3
SMILES
CCOC1=CC(=C(C(=C1)Cl)NC(=O)OCCN(C)C)Cl
InChI
InChI=1S/C13H18Cl2N2O3/c1-4-19-9-7-10(14)12(11(15)8-9)16-13(18)20-6-5-17(2)3/h7-8H,4-6H2,1-3H3,(H,16,18)
InChIKey
DWOPZFYCTXQFSR-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(2,6-dichloro-4-ethoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.06946 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07674 170.6
[M+Na]+ 343.05868 178.6
[M-H]- 319.06218 175.2
[M+NH4]+ 338.10328 187.0
[M+K]+ 359.03262 175.2
[M+H-H2O]+ 303.06672 165.4
[M+HCOO]- 365.06766 186.7
[M+CH3COO]- 379.08331 212.9
[M+Na-2H]- 341.04413 172.0
[M]+ 320.06891 178.9
[M]- 320.07001 178.9
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.