CID 79714

N-acetyl metoclopramide

Structural Information

Molecular Formula
C16H24ClN3O3
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)NC(=O)C)Cl
InChI
InChI=1S/C16H24ClN3O3/c1-5-20(6-2)8-7-18-16(22)12-9-13(17)14(19-11(3)21)10-15(12)23-4/h9-10H,5-8H2,1-4H3,(H,18,22)(H,19,21)
InChIKey
CUDFIXBYMDJBQT-UHFFFAOYSA-N
Compound name
4-acetamido-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

341.1506 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.157876 182.4
[M+Na]+ 364.139818 187.9
[M-H]- 340.143324 187.2
[M+NH4]+ 359.184423 197.0
[M+K]+ 380.113758 185.4
[M+H-H2O]+ 324.147860 175.5
[M+HCOO]- 386.148801 202.8
[M+CH3COO]- 400.164451 222.9
[M+Na-2H]- 362.125266 182.0
[M]+ 341.15005142 188.7
[M]- 341.15114858 188.7
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

patents stripe