CID 213649

Brn 0453347

Structural Information

Molecular Formula
C22H22ClN3O2
SMILES
C1CN(CCC1NC(=O)C2=CC=C(C=C2)Cl)CC(=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C22H22ClN3O2/c23-16-7-5-15(6-8-16)22(28)25-17-9-11-26(12-10-17)14-21(27)19-13-24-20-4-2-1-3-18(19)20/h1-8,13,17,24H,9-12,14H2,(H,25,28)
InChIKey
KKFBYCSWLFNPMP-UHFFFAOYSA-N
Compound name
4-chloro-N-[1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.14005 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.14733 193.4
[M+Na]+ 418.12927 206.9
[M+NH4]+ 413.17387 200.5
[M+K]+ 434.10321 200.4
[M-H]- 394.13277 198.4
[M+Na-2H]- 416.11472 200.6
[M]+ 395.13950 196.8
[M]- 395.14060 196.8
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.