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
2
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]+ 395.128776 194.4
[M+Na]+ 417.110718 200.8
[M-H]- 393.114224 201.1
[M+NH4]+ 412.155323 207.4
[M+K]+ 433.084658 194.9
[M+H-H2O]+ 377.118760 186.8
[M+HCOO]- 439.119701 209.3
[M+CH3COO]- 453.135351 226.9
[M+Na-2H]- 415.096166 194.5
[M]+ 394.12095142 201.7
[M]- 394.12204858 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.