CID 169501962

Metoclopramidehydroxylamine

Structural Information

Molecular Formula
C14H28ClN3O3
SMILES
CCN(CC)CCNC(=O)C1CC(C(CC1OC)NO)Cl
InChI
InChI=1S/C14H28ClN3O3/c1-4-18(5-2)7-6-16-14(19)10-8-11(15)12(17-20)9-13(10)21-3/h10-13,17,20H,4-9H2,1-3H3,(H,16,19)
InChIKey
BHVCGDOBSZJQOX-UHFFFAOYSA-N
Compound name
5-chloro-N-[2-(diethylamino)ethyl]-4-(hydroxyamino)-2-methoxycyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

321.18192 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18920 177.6
[M+Na]+ 344.17114 180.4
[M-H]- 320.17464 180.0
[M+NH4]+ 339.21574 192.1
[M+K]+ 360.14508 178.1
[M+H-H2O]+ 304.17918 171.3
[M+HCOO]- 366.18012 193.5
[M+CH3COO]- 380.19577 216.4
[M+Na-2H]- 342.15659 176.2
[M]+ 321.18137 178.3
[M]- 321.18247 178.3
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.