CID 169502014

Moclobemide metabolite m11

Structural Information

Molecular Formula
C13H15ClN2O5
SMILES
C1C(=O)N(C(C(O1)O)O)CCNC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H15ClN2O5/c14-9-3-1-8(2-4-9)11(18)15-5-6-16-10(17)7-21-13(20)12(16)19/h1-4,12-13,19-20H,5-7H2,(H,15,18)
InChIKey
NVBFXSGAWROADT-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-(2,3-dihydroxy-5-oxomorpholin-4-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

314.06696 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07424 168.4
[M+Na]+ 337.05618 175.0
[M-H]- 313.05968 171.7
[M+NH4]+ 332.10078 179.4
[M+K]+ 353.03012 171.7
[M+H-H2O]+ 297.06422 161.3
[M+HCOO]- 359.06516 180.4
[M+CH3COO]- 373.08081 201.1
[M+Na-2H]- 335.04163 170.1
[M]+ 314.06641 168.5
[M]- 314.06751 168.5
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.