CID 361388

Nsc624412

Structural Information

Molecular Formula
C33H30N2
SMILES
CC(C)(C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)C4=CN(C5=CC=CC=C54)CC6=CC=CC=C6
InChI
InChI=1S/C33H30N2/c1-33(2,29-23-34(21-25-13-5-3-6-14-25)31-19-11-9-17-27(29)31)30-24-35(22-26-15-7-4-8-16-26)32-20-12-10-18-28(30)32/h3-20,23-24H,21-22H2,1-2H3
InChIKey
ZEQAMDLBQXIIDY-UHFFFAOYSA-N
Compound name
1-benzyl-3-[2-(1-benzylindol-3-yl)propan-2-yl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.2409 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.24818 218.5
[M+Na]+ 477.23012 227.1
[M-H]- 453.23362 230.9
[M+NH4]+ 472.27472 229.1
[M+K]+ 493.20406 217.2
[M+H-H2O]+ 437.23816 206.7
[M+HCOO]- 499.23910 237.5
[M+CH3COO]- 513.25475 227.2
[M+Na-2H]- 475.21557 219.2
[M]+ 454.24035 221.8
[M]- 454.24145 221.8
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.