CID 213642

Brn 0498792

Structural Information

Molecular Formula
C23H26ClN3O
SMILES
CN1C=C(C2=CC=CC=C21)CCN3CCC(CC3)NC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H26ClN3O/c1-26-16-18(21-4-2-3-5-22(21)26)10-13-27-14-11-20(12-15-27)25-23(28)17-6-8-19(24)9-7-17/h2-9,16,20H,10-15H2,1H3,(H,25,28)
InChIKey
IZQRPQCAPDCJGV-UHFFFAOYSA-N
Compound name
4-chloro-N-[1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

395.17645 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18373 196.7
[M+Na]+ 418.16567 211.7
[M+NH4]+ 413.21027 205.0
[M+K]+ 434.13961 203.5
[M-H]- 394.16917 203.1
[M+Na-2H]- 416.15112 204.7
[M]+ 395.17590 201.0
[M]- 395.17700 201.0
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

patents stripe