CID 4168

Metoclopramide

Structural Information

Molecular Formula
C14H22ClN3O2
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl
InChI
InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
InChIKey
TTWJBBZEZQICBI-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

6094
References

57554
Patents

299.14005 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14733 172.1
[M+Na]+ 322.12927 178.4
[M-H]- 298.13277 176.5
[M+NH4]+ 317.17387 188.2
[M+K]+ 338.10321 175.4
[M+H-H2O]+ 282.13731 165.4
[M+HCOO]- 344.13825 193.0
[M+CH3COO]- 358.15390 214.8
[M+Na-2H]- 320.11472 172.6
[M]+ 299.13950 176.5
[M]- 299.14060 176.5
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.