CID 106826

1h-indole-1-heptanol, eta-1h-indol-1-yl-alpha,alpha,epsilon-trimethyl-

Structural Information

Molecular Formula
C26H32N2O
SMILES
CC(CCCC(C)(C)O)CC(N1C=CC2=CC=CC=C21)N3C=CC4=CC=CC=C43
InChI
InChI=1S/C26H32N2O/c1-20(9-8-16-26(2,3)29)19-25(27-17-14-21-10-4-6-12-23(21)27)28-18-15-22-11-5-7-13-24(22)28/h4-7,10-15,17-18,20,25,29H,8-9,16,19H2,1-3H3
InChIKey
YKLKFIPZNHLBMW-UHFFFAOYSA-N
Compound name
8,8-di(indol-1-yl)-2,6-dimethyloctan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

116
Patents

388.25146 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.25874 201.7
[M+Na]+ 411.24068 208.2
[M-H]- 387.24418 206.6
[M+NH4]+ 406.28528 215.3
[M+K]+ 427.21462 201.5
[M+H-H2O]+ 371.24872 193.0
[M+HCOO]- 433.24966 218.1
[M+CH3COO]- 447.26531 210.5
[M+Na-2H]- 409.22613 201.9
[M]+ 388.25091 206.3
[M]- 388.25201 206.3
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

patents stripe