CID 44149360

94135-09-8

Structural Information

Molecular Formula
C26H28N2
SMILES
CC(=CCC/C(=C/C(C1=CNC2=CC=CC=C21)C3=CNC4=CC=CC=C43)/C)C
InChI
InChI=1S/C26H28N2/c1-18(2)9-8-10-19(3)15-22(23-16-27-25-13-6-4-11-20(23)25)24-17-28-26-14-7-5-12-21(24)26/h4-7,9,11-17,22,27-28H,8,10H2,1-3H3/b19-15+
InChIKey
PDIXICHEAZLDNO-XDJHFCHBSA-N
Compound name
3-[(2E)-1-(1H-indol-3-yl)-3,7-dimethylocta-2,6-dienyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.22525 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.232526 196.2
[M+Na]+ 391.214468 202.6
[M-H]- 367.217974 199.7
[M+NH4]+ 386.259073 209.9
[M+K]+ 407.188408 193.2
[M+H-H2O]+ 351.222510 187.7
[M+HCOO]- 413.223451 212.1
[M+CH3COO]- 427.239101 204.5
[M+Na-2H]- 389.199916 193.9
[M]+ 368.22470142 196.2
[M]- 368.22579858 196.2
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.