CID 169502200

Metoclopramide aldehyde metabolite (intermediate to m5)

Structural Information

Molecular Formula
C10H11ClN2O3
SMILES
COC1=CC(=C(C=C1C(=O)NCC=O)Cl)N
InChI
InChI=1S/C10H11ClN2O3/c1-16-9-5-8(12)7(11)4-6(9)10(15)13-2-3-14/h3-5H,2,12H2,1H3,(H,13,15)
InChIKey
WKHDGZOIZLWMKT-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxy-N-(2-oxoethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.04582 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05310 150.0
[M+Na]+ 265.03504 161.1
[M+NH4]+ 260.07964 156.6
[M+K]+ 281.00898 155.8
[M-H]- 241.03854 151.5
[M+Na-2H]- 263.02049 154.8
[M]+ 242.04527 151.9
[M]- 242.04637 151.9
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.