CID 3085896

72939-46-9

Structural Information

Molecular Formula
C31H32N2
SMILES
CCCCCCC(=CC1=CC=CC=C1)C(N2C=CC3=CC=CC=C32)N4C=CC5=CC=CC=C54
InChI
InChI=1S/C31H32N2/c1-2-3-4-8-17-28(24-25-13-6-5-7-14-25)31(32-22-20-26-15-9-11-18-29(26)32)33-23-21-27-16-10-12-19-30(27)33/h5-7,9-16,18-24,31H,2-4,8,17H2,1H3
InChIKey
MFGIUZNVZIXAJZ-UHFFFAOYSA-N
Compound name
1-(2-benzylidene-1-indol-1-yloctyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.25656 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.26384 213.2
[M+Na]+ 455.24578 219.1
[M-H]- 431.24928 221.6
[M+NH4]+ 450.29038 224.7
[M+K]+ 471.21972 209.7
[M+H-H2O]+ 415.25382 201.8
[M+HCOO]- 477.25476 231.9
[M+CH3COO]- 491.27041 221.1
[M+Na-2H]- 453.23123 211.6
[M]+ 432.25601 216.5
[M]- 432.25711 216.5
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.