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 197.8
[M+Na]+ 429.14072 204.0
[M-H]- 405.14422 207.0
[M+NH4]+ 424.18532 206.9
[M+K]+ 445.11466 196.4
[M+H-H2O]+ 389.14876 186.3
[M+HCOO]- 451.14970 212.1
[M+CH3COO]- 465.16535 206.2
[M+Na-2H]- 427.12617 196.0
[M]+ 406.15095 197.4
[M]- 406.15205 197.4
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.