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
2
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]+ 319.097456 172.8
[M+Na]+ 341.079398 180.5
[M-H]- 317.082904 177.1
[M+NH4]+ 336.124003 189.3
[M+K]+ 357.053338 176.2
[M+H-H2O]+ 301.087440 167.5
[M+HCOO]- 363.088381 188.3
[M+CH3COO]- 377.104031 214.4
[M+Na-2H]- 339.064846 173.5
[M]+ 318.08963142 180.2
[M]- 318.09072858 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

literature stripe

Patent stripe

patents stripe