CID 106755

Einecs 266-845-4

Structural Information

Molecular Formula
C28H36N2O
SMILES
CC(CCCC(C)(C)O)CC(C1(C=NC2=CC=CC=C21)C)C3(C=NC4=CC=CC=C43)C
InChI
InChI=1S/C28H36N2O/c1-20(11-10-16-26(2,3)31)17-25(27(4)18-29-23-14-8-6-12-21(23)27)28(5)19-30-24-15-9-7-13-22(24)28/h6-9,12-15,18-20,25,31H,10-11,16-17H2,1-5H3
InChIKey
LRPMXGLOVFPBKD-UHFFFAOYSA-N
Compound name
2,6-dimethyl-8,8-bis(3-methylindol-3-yl)octan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

416.28278 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.29006 204.8
[M+Na]+ 439.27200 216.0
[M+NH4]+ 434.31660 214.9
[M+K]+ 455.24594 208.3
[M-H]- 415.27550 207.4
[M+Na-2H]- 437.25745 212.0
[M]+ 416.28223 207.6
[M]- 416.28333 207.6
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

No patent data available for this compound.