CID 3055744

1h-indole, 3-(1,2,3,6-tetrahydro-1-(2-phenylethyl)-4-pyridinyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H22N2
SMILES
C1CN(CC=C1C2=CNC3=CC=CC=C32)CCC4=CC=CC=C4
InChI
InChI=1S/C21H22N2/c1-2-6-17(7-3-1)10-13-23-14-11-18(12-15-23)20-16-22-21-9-5-4-8-19(20)21/h1-9,11,16,22H,10,12-15H2
InChIKey
HDKYMKKOLMHQBC-UHFFFAOYSA-N
Compound name
3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

302.17828 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.185556 172.6
[M+Na]+ 325.167498 179.2
[M-H]- 301.171004 178.6
[M+NH4]+ 320.212103 186.4
[M+K]+ 341.141438 171.2
[M+H-H2O]+ 285.175540 162.3
[M+HCOO]- 347.176481 190.8
[M+CH3COO]- 361.192131 182.5
[M+Na-2H]- 323.152946 176.4
[M]+ 302.17773142 169.4
[M]- 302.17882858 169.4
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