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 164.7
[M+Na]+ 296.14098 171.2
[M-H]- 272.14448 173.3
[M+NH4]+ 291.18558 181.6
[M+K]+ 312.11492 164.7
[M+H-H2O]+ 256.14902 155.2
[M+HCOO]- 318.14996 184.7
[M+CH3COO]- 332.16561 175.9
[M+Na-2H]- 294.12643 168.3
[M]+ 273.15121 160.9
[M]- 273.15231 160.9
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