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]+ 441.25365 206.3
[M+Na]+ 463.23559 208.5
[M-H]- 439.23909 215.7
[M+NH4]+ 458.28019 214.4
[M+K]+ 479.20953 201.0
[M+H-H2O]+ 423.24363 194.5
[M+HCOO]- 485.24457 222.9
[M+CH3COO]- 499.26022 213.0
[M+Na-2H]- 461.22104 206.2
[M]+ 440.24582 202.9
[M]- 440.24692 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.