CID 3084987

1,2-diphenyl-4,5,6,7-tetrahydroindole

Structural Information

Molecular Formula
C20H19N
SMILES
C1CCC2=C(C1)C=C(N2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H19N/c1-3-9-16(10-4-1)20-15-17-11-7-8-14-19(17)21(20)18-12-5-2-6-13-18/h1-6,9-10,12-13,15H,7-8,11,14H2
InChIKey
BKDORYQBHTXBEH-UHFFFAOYSA-N
Compound name
1,2-diphenyl-4,5,6,7-tetrahydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

273.15176 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15904 166.4
[M+Na]+ 296.14098 182.8
[M+NH4]+ 291.18558 177.4
[M+K]+ 312.11492 173.9
[M-H]- 272.14448 174.3
[M+Na-2H]- 294.12643 177.4
[M]+ 273.15121 171.3
[M]- 273.15231 171.3
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