CID 213636

Brn 0496664

Structural Information

Molecular Formula
C23H27N3O
SMILES
C1CN(CCC1NC(=O)CC2=CC=CC=C2)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C23H27N3O/c27-23(16-18-6-2-1-3-7-18)25-20-11-14-26(15-12-20)13-10-19-17-24-22-9-5-4-8-21(19)22/h1-9,17,20,24H,10-16H2,(H,25,27)
InChIKey
PONCIHWAPVUUPI-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

361.21542 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.22270 187.2
[M+Na]+ 384.20464 190.7
[M-H]- 360.20814 192.5
[M+NH4]+ 379.24924 197.9
[M+K]+ 400.17858 183.2
[M+H-H2O]+ 344.21268 176.3
[M+HCOO]- 406.21362 203.7
[M+CH3COO]- 420.22927 194.9
[M+Na-2H]- 382.19009 188.7
[M]+ 361.21487 182.6
[M]- 361.21597 182.6
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