CID 169501906

Hydroxymetoclopramide

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
2
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 174.5
[M+Na]+ 338.12420 181.2
[M-H]- 314.12770 177.9
[M+NH4]+ 333.16880 189.5
[M+K]+ 354.09814 178.1
[M+H-H2O]+ 298.13224 168.2
[M+HCOO]- 360.13318 194.1
[M+CH3COO]- 374.14883 216.0
[M+Na-2H]- 336.10965 174.0
[M]+ 315.13443 178.9
[M]- 315.13553 178.9
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

No patent data available for this compound.