CID 70789955

Ly-2795050 c-11

Structural Information

Molecular Formula
C23H22ClN3O2
SMILES
C1C[C@H](N(C1)CC2=CC=C(C=C2)OC3=C(C=C(C=C3)[11C](=O)N)Cl)C4=CN=CC=C4
InChI
InChI=1S/C23H22ClN3O2/c24-20-13-17(23(25)28)7-10-22(20)29-19-8-5-16(6-9-19)15-27-12-2-4-21(27)18-3-1-11-26-14-18/h1,3,5-11,13-14,21H,2,4,12,15H2,(H2,25,28)/t21-/m0/s1/i23-1
InChIKey
LOOCZNLSXJHWTG-GCSHDQMLSA-N
Compound name
3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

406.1515 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.15878 198.6
[M+Na]+ 429.14072 213.8
[M+NH4]+ 424.18532 206.1
[M+K]+ 445.11466 206.5
[M-H]- 405.14422 206.0
[M+Na-2H]- 427.12617 208.5
[M]+ 406.15095 203.2
[M]- 406.15205 203.2
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.