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 210.5
[M+Na]+ 439.27200 216.5
[M-H]- 415.27550 214.9
[M+NH4]+ 434.31660 226.9
[M+K]+ 455.24594 210.0
[M+H-H2O]+ 399.28004 202.0
[M+HCOO]- 461.28098 223.6
[M+CH3COO]- 475.29663 226.7
[M+Na-2H]- 437.25745 210.1
[M]+ 416.28223 213.7
[M]- 416.28333 213.7
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.