CID 169502030

Moclobemide metabolite m8

Structural Information

Molecular Formula
C13H15ClN2O5
SMILES
C1=CC(=CC=C1C(=O)NCCN(CCO)C(=O)C(=O)O)Cl
InChI
InChI=1S/C13H15ClN2O5/c14-10-3-1-9(2-4-10)11(18)15-5-6-16(7-8-17)12(19)13(20)21/h1-4,17H,5-8H2,(H,15,18)(H,20,21)
InChIKey
OJZPSFODPMFORD-UHFFFAOYSA-N
Compound name
2-[2-[(4-chlorobenzoyl)amino]ethyl-(2-hydroxyethyl)amino]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

314.06696 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07424 167.9
[M+Na]+ 337.05618 172.7
[M-H]- 313.05968 169.9
[M+NH4]+ 332.10078 181.6
[M+K]+ 353.03012 170.3
[M+H-H2O]+ 297.06422 161.9
[M+HCOO]- 359.06516 185.1
[M+CH3COO]- 373.08081 205.4
[M+Na-2H]- 335.04163 168.4
[M]+ 314.06641 170.8
[M]- 314.06751 170.8
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.