CID 129998

Br 383

Structural Information

Molecular Formula
C14H16Cl2N2O2
SMILES
CN(CCCl)CC#CCOC(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C14H16Cl2N2O2/c1-18(9-7-15)8-2-3-10-20-14(19)17-13-6-4-5-12(16)11-13/h4-6,11H,7-10H2,1H3,(H,17,19)
InChIKey
UAJSBXOPWFLIRI-UHFFFAOYSA-N
Compound name
4-[2-chloroethyl(methyl)amino]but-2-ynyl N-(3-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.05887 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06615 166.8
[M+Na]+ 337.04809 177.7
[M+NH4]+ 332.09269 170.6
[M+K]+ 353.02203 167.7
[M-H]- 313.05159 161.1
[M+Na-2H]- 335.03354 169.3
[M]+ 314.05832 166.3
[M]- 314.05942 166.3
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.