CID 3059429

76423-55-7

Structural Information

Molecular Formula
C30H34N2O3
SMILES
COC1=CC=C(C=C1)C2=CC3=C(N2C4=CC=CC=C4)C=CC=C3OCC(CNC5CCCCC5)O
InChI
InChI=1S/C30H34N2O3/c1-34-26-17-15-22(16-18-26)29-19-27-28(32(29)24-11-6-3-7-12-24)13-8-14-30(27)35-21-25(33)20-31-23-9-4-2-5-10-23/h3,6-8,11-19,23,25,31,33H,2,4-5,9-10,20-21H2,1H3
InChIKey
SLWQGRUXRYBKAV-UHFFFAOYSA-N
Compound name
1-(cyclohexylamino)-3-[2-(4-methoxyphenyl)-1-phenylindol-4-yl]oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.25696 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.26424 214.3
[M+Na]+ 493.24618 216.6
[M-H]- 469.24968 223.9
[M+NH4]+ 488.29078 221.3
[M+K]+ 509.22012 209.9
[M+H-H2O]+ 453.25422 202.2
[M+HCOO]- 515.25516 230.7
[M+CH3COO]- 529.27081 220.7
[M+Na-2H]- 491.23163 213.1
[M]+ 470.25641 212.9
[M]- 470.25751 212.9
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.