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

6
Patents

302.17828 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18556 172.6
[M+Na]+ 325.16750 179.2
[M-H]- 301.17100 178.6
[M+NH4]+ 320.21210 186.4
[M+K]+ 341.14144 171.2
[M+H-H2O]+ 285.17554 162.3
[M+HCOO]- 347.17648 190.8
[M+CH3COO]- 361.19213 182.5
[M+Na-2H]- 323.15295 176.4
[M]+ 302.17773 169.4
[M]- 302.17883 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