CID 213629

Brn 0495998

Structural Information

Molecular Formula
C23H27N3O
SMILES
CC1=CC(=CC=C1)C(=O)NC2CCN(CC2)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C23H27N3O/c1-17-5-4-6-18(15-17)23(27)25-20-10-13-26(14-11-20)12-9-19-16-24-22-8-3-2-7-21(19)22/h2-8,15-16,20,24H,9-14H2,1H3,(H,25,27)
InChIKey
KICBERIGCDGVSG-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

361.21542 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.22270 190.5
[M+Na]+ 384.20464 203.7
[M+NH4]+ 379.24924 198.2
[M+K]+ 400.17858 196.7
[M-H]- 360.20814 196.3
[M+Na-2H]- 382.19009 198.2
[M]+ 361.21487 193.9
[M]- 361.21597 193.9
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