CID 124099

Metoclopramide sulfone

Structural Information

Molecular Formula
C16H26ClN3O4S
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCCS(=O)(=O)C)N)Cl
InChI
InChI=1S/C16H26ClN3O4S/c1-4-20(5-2)7-6-19-16(21)12-10-13(17)14(18)11-15(12)24-8-9-25(3,22)23/h10-11H,4-9,18H2,1-3H3,(H,19,21)
InChIKey
OSNGEOZMYLGFHX-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(2-methylsulfonylethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

391.13327 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.14055 190.3
[M+Na]+ 414.12249 195.5
[M-H]- 390.12599 194.4
[M+NH4]+ 409.16709 202.7
[M+K]+ 430.09643 191.5
[M+H-H2O]+ 374.13053 183.3
[M+HCOO]- 436.13147 204.1
[M+CH3COO]- 450.14712 227.5
[M+Na-2H]- 412.10794 189.3
[M]+ 391.13272 198.1
[M]- 391.13382 198.1
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

patents stripe