CID 30031

2-(diethylamino)ethyl 3,5-dichlorocarbanilate hydrochloride

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]+ 305.08180 168.7
[M+Na]+ 327.06374 175.9
[M-H]- 303.06724 172.8
[M+NH4]+ 322.10834 185.5
[M+K]+ 343.03768 171.8
[M+H-H2O]+ 287.07178 163.3
[M+HCOO]- 349.07272 184.6
[M+CH3COO]- 363.08837 209.6
[M+Na-2H]- 325.04919 170.6
[M]+ 304.07397 175.2
[M]- 304.07507 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.