CID 459094

2,5-diphenyl-1h-indole

Structural Information

Molecular Formula
C20H15N
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)NC(=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H15N/c1-3-7-15(8-4-1)17-11-12-19-18(13-17)14-20(21-19)16-9-5-2-6-10-16/h1-14,21H
InChIKey
OIHHKCXJKCUCJS-UHFFFAOYSA-N
Compound name
2,5-diphenyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

269.12045 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12773 161.7
[M+Na]+ 292.10967 171.0
[M-H]- 268.11317 170.2
[M+NH4]+ 287.15427 178.4
[M+K]+ 308.08361 163.1
[M+H-H2O]+ 252.11771 152.9
[M+HCOO]- 314.11865 184.5
[M+CH3COO]- 328.13430 174.0
[M+Na-2H]- 290.09512 168.1
[M]+ 269.11990 160.6
[M]- 269.12100 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe