CID 106919

Einecs 267-434-2

Structural Information

Molecular Formula
C26H32N2O
SMILES
CC(CCCC(C)(C)O)CC(C1=CNC2=CC=CC=C21)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C26H32N2O/c1-18(9-8-14-26(2,3)29)15-21(22-16-27-24-12-6-4-10-19(22)24)23-17-28-25-13-7-5-11-20(23)25/h4-7,10-13,16-18,21,27-29H,8-9,14-15H2,1-3H3
InChIKey
SYOSSKZMWMHVSA-UHFFFAOYSA-N
Compound name
8,8-bis(1H-indol-3-yl)-2,6-dimethyloctan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

134
Patents

388.25146 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.258736 200.4
[M+Na]+ 411.240678 206.0
[M-H]- 387.244184 202.7
[M+NH4]+ 406.285283 212.7
[M+K]+ 427.214618 198.0
[M+H-H2O]+ 371.248720 192.6
[M+HCOO]- 433.249661 213.9
[M+CH3COO]- 447.265311 208.0
[M+Na-2H]- 409.226126 200.1
[M]+ 388.25091142 201.6
[M]- 388.25200858 201.6
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

patents stripe