CID 392905

Nsc694087

Structural Information

Molecular Formula
C27H21N
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2C4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H21N/c1-3-9-21(10-4-1)20-28-26-14-8-7-13-25(26)19-27(28)24-17-15-23(16-18-24)22-11-5-2-6-12-22/h1-19H,20H2
InChIKey
CESKRKVVBNNSBG-UHFFFAOYSA-N
Compound name
1-benzyl-2-(4-phenylphenyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1674 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17468 189.6
[M+Na]+ 382.15662 198.1
[M-H]- 358.16012 201.8
[M+NH4]+ 377.20122 202.6
[M+K]+ 398.13056 189.0
[M+H-H2O]+ 342.16466 178.2
[M+HCOO]- 404.16560 212.1
[M+CH3COO]- 418.18125 200.2
[M+Na-2H]- 380.14207 193.5
[M]+ 359.16685 189.8
[M]- 359.16795 189.8
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

No patent data available for this compound.