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]+ 369.23253 196.2
[M+Na]+ 391.21447 202.6
[M-H]- 367.21797 199.7
[M+NH4]+ 386.25907 209.9
[M+K]+ 407.18841 193.2
[M+H-H2O]+ 351.22251 187.7
[M+HCOO]- 413.22345 212.1
[M+CH3COO]- 427.23910 204.5
[M+Na-2H]- 389.19992 193.9
[M]+ 368.22470 196.2
[M]- 368.22580 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.