CID 52012

(3,4-dichlorophenylcarbamoylmethyl)diethylmethylammonium iodide

Structural Information

Molecular Formula
C13H19Cl2N2O
SMILES
CC[N+](C)(CC)CC(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C13H18Cl2N2O/c1-4-17(3,5-2)9-13(18)16-10-6-7-11(14)12(15)8-10/h6-8H,4-5,9H2,1-3H3/p+1
InChIKey
LTBLKYCDPJHEFT-UHFFFAOYSA-O
Compound name
[2-(3,4-dichloroanilino)-2-oxoethyl]-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.08743 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09471 163.9
[M+Na]+ 312.07665 171.3
[M-H]- 288.08015 168.1
[M+NH4]+ 307.12125 181.3
[M+K]+ 328.05059 161.1
[M+H-H2O]+ 272.08469 162.0
[M+HCOO]- 334.08563 178.3
[M+CH3COO]- 348.10128 200.9
[M+Na-2H]- 310.06210 169.9
[M]+ 289.08688 167.3
[M]- 289.08798 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.