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 197.3
[M+Na]+ 418.16567 203.8
[M-H]- 394.16917 204.4
[M+NH4]+ 413.21027 208.7
[M+K]+ 434.13961 195.7
[M+H-H2O]+ 378.17371 186.5
[M+HCOO]- 440.17465 210.5
[M+CH3COO]- 454.19030 205.7
[M+Na-2H]- 416.15112 196.8
[M]+ 395.17590 197.6
[M]- 395.17700 197.6
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