CID 85584807

Moclobemide metabolite m2

Structural Information

Molecular Formula
C13H19ClN2O3
SMILES
C1=CC(=CC=C1C(=O)NCCN(CCO)CCO)Cl
InChI
InChI=1S/C13H19ClN2O3/c14-12-3-1-11(2-4-12)13(19)15-5-6-16(7-9-17)8-10-18/h1-4,17-18H,5-10H2,(H,15,19)
InChIKey
LRUUEGXCGXIMQJ-UHFFFAOYSA-N
Compound name
N-[2-[bis(2-hydroxyethyl)amino]ethyl]-4-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

286.10843 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11571 165.1
[M+Na]+ 309.09765 169.9
[M-H]- 285.10115 166.7
[M+NH4]+ 304.14225 180.2
[M+K]+ 325.07159 166.1
[M+H-H2O]+ 269.10569 158.9
[M+HCOO]- 331.10663 183.3
[M+CH3COO]- 345.12228 202.0
[M+Na-2H]- 307.08310 167.6
[M]+ 286.10788 167.8
[M]- 286.10898 167.8
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.