CID 70177

Declopramide

Structural Information

Molecular Formula
C13H20ClN3O
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1)N)Cl
InChI
InChI=1S/C13H20ClN3O/c1-3-17(4-2)8-7-16-13(18)10-5-6-12(15)11(14)9-10/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,18)
InChIKey
YEYAKZXEBSVURO-UHFFFAOYSA-N
Compound name
4-amino-3-chloro-N-[2-(diethylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

317
Patents

269.1295 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13678 164.9
[M+Na]+ 292.11872 170.9
[M-H]- 268.12222 169.1
[M+NH4]+ 287.16332 182.0
[M+K]+ 308.09266 167.4
[M+H-H2O]+ 252.12676 158.4
[M+HCOO]- 314.12770 185.9
[M+CH3COO]- 328.14335 208.5
[M+Na-2H]- 290.10417 166.6
[M]+ 269.12895 167.1
[M]- 269.13005 167.1
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