CID 208832

Diclometide

Structural Information

Molecular Formula
C14H20Cl2N2O2
SMILES
CCN(CC)CCNC(=O)C1=C(C(=CC(=C1)Cl)Cl)OC
InChI
InChI=1S/C14H20Cl2N2O2/c1-4-18(5-2)7-6-17-14(19)11-8-10(15)9-12(16)13(11)20-3/h8-9H,4-7H2,1-3H3,(H,17,19)
InChIKey
KJBUBVMOTCYBPX-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

318.09018 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.09746 172.8
[M+Na]+ 341.07940 180.5
[M-H]- 317.08290 177.1
[M+NH4]+ 336.12400 189.3
[M+K]+ 357.05334 176.2
[M+H-H2O]+ 301.08744 167.5
[M+HCOO]- 363.08838 188.3
[M+CH3COO]- 377.10403 214.4
[M+Na-2H]- 339.06485 173.5
[M]+ 318.08963 180.2
[M]- 318.09073 180.2
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.