CID 116779

Einecs 274-728-4

Structural Information

Molecular Formula
C20H24Cl2N2O2
SMILES
CCCCN(CCOC(=O)NC1=CC(=C(C=C1)Cl)Cl)C2=CC=CC(=C2)C
InChI
InChI=1S/C20H24Cl2N2O2/c1-3-4-10-24(17-7-5-6-15(2)13-17)11-12-26-20(25)23-16-8-9-18(21)19(22)14-16/h5-9,13-14H,3-4,10-12H2,1-2H3,(H,23,25)
InChIKey
IBUXMXQANREFOV-UHFFFAOYSA-N
Compound name
2-(N-butyl-3-methylanilino)ethyl N-(3,4-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.1215 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.12878 194.4
[M+Na]+ 417.11072 200.8
[M-H]- 393.11422 201.1
[M+NH4]+ 412.15532 207.4
[M+K]+ 433.08466 194.9
[M+H-H2O]+ 377.11876 186.8
[M+HCOO]- 439.11970 209.3
[M+CH3COO]- 453.13535 226.9
[M+Na-2H]- 415.09617 194.5
[M]+ 394.12095 201.7
[M]- 394.12205 201.7
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.