CID 44146631

1,1'-(2-(3-methylbutyl)-3-phenyl-2-propenylidene)bis(1h-indole)

Structural Information

Molecular Formula
C30H30N2
SMILES
CC(C)CC/C(=C\C1=CC=CC=C1)/C(N2C=CC3=CC=CC=C32)N4C=CC5=CC=CC=C54
InChI
InChI=1S/C30H30N2/c1-23(2)16-17-27(22-24-10-4-3-5-11-24)30(31-20-18-25-12-6-8-14-28(25)31)32-21-19-26-13-7-9-15-29(26)32/h3-15,18-23,30H,16-17H2,1-2H3/b27-22+
InChIKey
WIVROQITFIGIOA-HPNDGRJYSA-N
Compound name
1-[(2E)-2-benzylidene-1-indol-1-yl-5-methylhexyl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.2409 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.24818 208.8
[M+Na]+ 441.23012 214.8
[M-H]- 417.23362 217.6
[M+NH4]+ 436.27472 220.8
[M+K]+ 457.20406 206.2
[M+H-H2O]+ 401.23816 197.9
[M+HCOO]- 463.23910 226.9
[M+CH3COO]- 477.25475 217.1
[M+Na-2H]- 439.21557 206.8
[M]+ 418.24035 211.3
[M]- 418.24145 211.3
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.