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]+ 315.074236 168.4
[M+Na]+ 337.056178 175.0
[M-H]- 313.059684 171.7
[M+NH4]+ 332.100783 179.4
[M+K]+ 353.030118 171.7
[M+H-H2O]+ 297.064220 161.3
[M+HCOO]- 359.065161 180.4
[M+CH3COO]- 373.080811 201.1
[M+Na-2H]- 335.041626 170.1
[M]+ 314.06641142 168.5
[M]- 314.06750858 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

literature stripe

Patent stripe

No patent data available for this compound.