CID 30031

20228-93-7

Structural Information

Molecular Formula
C13H18Cl2N2O2
SMILES
CCN(CC)CCOC(=O)NC1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C13H18Cl2N2O2/c1-3-17(4-2)5-6-19-13(18)16-12-8-10(14)7-11(15)9-12/h7-9H,3-6H2,1-2H3,(H,16,18)
InChIKey
OYFCCEIURUOVCE-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-(3,5-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.07452 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.081796 168.7
[M+Na]+ 327.063738 175.9
[M-H]- 303.067244 172.8
[M+NH4]+ 322.108343 185.5
[M+K]+ 343.037678 171.8
[M+H-H2O]+ 287.071780 163.3
[M+HCOO]- 349.072721 184.6
[M+CH3COO]- 363.088371 209.6
[M+Na-2H]- 325.049186 170.6
[M]+ 304.07397142 175.2
[M]- 304.07506858 175.2
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.