CID 169502211

Hydroxymetoclopramide-glucuronide (m8)

Structural Information

Molecular Formula
C20H30ClN3O9
SMILES
CCN(CC)CCNC(=O)C1=C(C=C(C(=C1OC2C(C(C(C(O2)C(=O)O)O)O)O)Cl)N)OC
InChI
InChI=1S/C20H30ClN3O9/c1-4-24(5-2)7-6-23-18(28)11-10(31-3)8-9(22)12(21)16(11)32-20-15(27)13(25)14(26)17(33-20)19(29)30/h8,13-15,17,20,25-27H,4-7,22H2,1-3H3,(H,23,28)(H,29,30)
InChIKey
WWVKWQBTFBKXES-UHFFFAOYSA-N
Compound name
6-[3-amino-2-chloro-6-[2-(diethylamino)ethylcarbamoyl]-5-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.16705 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.17433 212.8
[M+Na]+ 514.15627 217.5
[M+NH4]+ 509.20087 213.3
[M+K]+ 530.13021 217.7
[M-H]- 490.15977 213.1
[M+Na-2H]- 512.14172 209.7
[M]+ 491.16650 212.9
[M]- 491.16760 212.9
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.