CID 392906

Nsc694088

Structural Information

Molecular Formula
C27H21N
SMILES
C1=CC=C(C=C1)CC2=CC=CC3=C2NC(=C3)C4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H21N/c1-3-8-20(9-4-1)18-24-12-7-13-25-19-26(28-27(24)25)23-16-14-22(15-17-23)21-10-5-2-6-11-21/h1-17,19,28H,18H2
InChIKey
HMRLZJNBLDBBRV-UHFFFAOYSA-N
Compound name
7-benzyl-2-(4-phenylphenyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1674 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17468 188.7
[M+Na]+ 382.15662 196.8
[M-H]- 358.16012 199.6
[M+NH4]+ 377.20122 201.1
[M+K]+ 398.13056 186.9
[M+H-H2O]+ 342.16466 177.8
[M+HCOO]- 404.16560 209.8
[M+CH3COO]- 418.18125 198.8
[M+Na-2H]- 380.14207 192.4
[M]+ 359.16685 187.2
[M]- 359.16795 187.2
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.