CID 3059421

1-(cyclohexylamino)-3-((1,2-diphenyl-1h-indol-4-yl)oxy)-2-propanol hydrochloride

Structural Information

Molecular Formula
C29H32N2O2
SMILES
C1CCC(CC1)NCC(COC2=CC=CC3=C2C=C(N3C4=CC=CC=C4)C5=CC=CC=C5)O
InChI
InChI=1S/C29H32N2O2/c32-25(20-30-23-13-6-2-7-14-23)21-33-29-18-10-17-27-26(29)19-28(22-11-4-1-5-12-22)31(27)24-15-8-3-9-16-24/h1,3-5,8-12,15-19,23,25,30,32H,2,6-7,13-14,20-21H2
InChIKey
HQQKWWUAPZLJBH-UHFFFAOYSA-N
Compound name
1-(cyclohexylamino)-3-(1,2-diphenylindol-4-yl)oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.24637 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.253646 206.3
[M+Na]+ 463.235588 208.5
[M-H]- 439.239094 215.7
[M+NH4]+ 458.280193 214.4
[M+K]+ 479.209528 201.0
[M+H-H2O]+ 423.243630 194.5
[M+HCOO]- 485.244571 222.9
[M+CH3COO]- 499.260221 213.0
[M+Na-2H]- 461.221036 206.2
[M]+ 440.24582142 202.9
[M]- 440.24691858 202.9
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.