CID 3034898

Einecs 272-121-9

Structural Information

Molecular Formula
C29H34N2O
SMILES
CC(C)(CCCC1=CCC(CC1)C(N2C=CC3=CC=CC=C32)N4C=CC5=CC=CC=C54)O
InChI
InChI=1S/C29H34N2O/c1-29(2,32)19-7-8-22-13-15-25(16-14-22)28(30-20-17-23-9-3-5-11-26(23)30)31-21-18-24-10-4-6-12-27(24)31/h3-6,9-13,17-18,20-21,25,28,32H,7-8,14-16,19H2,1-2H3
InChIKey
YVXOZUKAEGIDRP-UHFFFAOYSA-N
Compound name
5-[4-[di(indol-1-yl)methyl]cyclohexen-1-yl]-2-methylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

426.26712 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.27440 208.1
[M+Na]+ 449.25634 222.6
[M+NH4]+ 444.30094 216.4
[M+K]+ 465.23028 216.7
[M-H]- 425.25984 213.9
[M+Na-2H]- 447.24179 215.9
[M]+ 426.26657 212.1
[M]- 426.26767 212.1
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.