CID 71358123

Metoclopramide metabolite m10

Structural Information

Molecular Formula
C14H20ClN3O4
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)[N+](=O)[O-])Cl
InChI
InChI=1S/C14H20ClN3O4/c1-4-17(5-2)7-6-16-14(19)10-8-11(15)12(18(20)21)9-13(10)22-3/h8-9H,4-7H2,1-3H3,(H,16,19)
InChIKey
PVUYBBJPARWTJY-UHFFFAOYSA-N
Compound name
5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

329.11423 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12151 175.9
[M+Na]+ 352.10345 181.3
[M-H]- 328.10695 180.5
[M+NH4]+ 347.14805 190.2
[M+K]+ 368.07739 175.1
[M+H-H2O]+ 312.11149 174.0
[M+HCOO]- 374.11243 197.5
[M+CH3COO]- 388.12808 211.2
[M+Na-2H]- 350.08890 178.6
[M]+ 329.11368 180.7
[M]- 329.11478 180.7
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.