CID 213619

Brn 0493498

Structural Information

Molecular Formula
C22H27N3
SMILES
C1CN(CCC1NCC2=CC=CC=C2)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C22H27N3/c1-2-6-18(7-3-1)16-23-20-11-14-25(15-12-20)13-10-19-17-24-22-9-5-4-8-21(19)22/h1-9,17,20,23-24H,10-16H2
InChIKey
OWRFTSGIBJFNMI-UHFFFAOYSA-N
Compound name
N-benzyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

333.2205 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.22778 179.6
[M+Na]+ 356.20972 183.7
[M-H]- 332.21322 184.9
[M+NH4]+ 351.25432 191.6
[M+K]+ 372.18366 175.8
[M+H-H2O]+ 316.21776 168.7
[M+HCOO]- 378.21870 197.1
[M+CH3COO]- 392.23435 188.0
[M+Na-2H]- 354.19517 182.7
[M]+ 333.21995 174.7
[M]- 333.22105 174.7
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