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]+ 316.14226 172.4
[M+Na]+ 338.12420 178.1
[M-H]- 314.12770 175.1
[M+NH4]+ 333.16880 186.9
[M+K]+ 354.09814 169.8
[M+H-H2O]+ 298.13224 171.4
[M+HCOO]- 360.13318 191.6
[M+CH3COO]- 374.14883 205.5
[M+Na-2H]- 336.10965 177.0
[M]+ 315.13443 173.9
[M]- 315.13553 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.