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
1
Annotation Hits

0
References

23
Patents

341.1506 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.15788 182.4
[M+Na]+ 364.13982 187.9
[M-H]- 340.14332 187.2
[M+NH4]+ 359.18442 197.0
[M+K]+ 380.11376 185.4
[M+H-H2O]+ 324.14786 175.5
[M+HCOO]- 386.14880 202.8
[M+CH3COO]- 400.16445 222.9
[M+Na-2H]- 362.12527 182.0
[M]+ 341.15005 188.7
[M]- 341.15115 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