CID 169501906

Metoclopramide_3-oh

Structural Information

Molecular Formula
C14H22ClN3O3
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C(=C1OC)O)N)Cl
InChI
InChI=1S/C14H22ClN3O3/c1-4-18(5-2)7-6-17-14(20)9-8-10(15)11(16)12(19)13(9)21-3/h8,19H,4-7,16H2,1-3H3,(H,17,20)
InChIKey
HZXPSGKWZRSOCC-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-3-hydroxy-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.13498 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14226 173.5
[M+Na]+ 338.12420 182.5
[M+NH4]+ 333.16880 179.1
[M+K]+ 354.09814 177.6
[M-H]- 314.12770 175.2
[M+Na-2H]- 336.10965 176.3
[M]+ 315.13443 175.1
[M]- 315.13553 175.1
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.