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
2
Annotation Hits

0
References

145
Patents

388.25146 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.25874 200.4
[M+Na]+ 411.24068 206.0
[M-H]- 387.24418 202.7
[M+NH4]+ 406.28528 212.7
[M+K]+ 427.21462 198.0
[M+H-H2O]+ 371.24872 192.6
[M+HCOO]- 433.24966 213.9
[M+CH3COO]- 447.26531 208.0
[M+Na-2H]- 409.22613 200.1
[M]+ 388.25091 201.6
[M]- 388.25201 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