CID 10495577

Metoclopramide n-oxide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.13498 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.142256 172.4
[M+Na]+ 338.124198 178.1
[M-H]- 314.127704 175.1
[M+NH4]+ 333.168803 186.9
[M+K]+ 354.098138 169.8
[M+H-H2O]+ 298.132240 171.4
[M+HCOO]- 360.133181 191.6
[M+CH3COO]- 374.148831 205.5
[M+Na-2H]- 336.109646 177.0
[M]+ 315.13443142 173.9
[M]- 315.13552858 173.9
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.