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]+ 471.264236 214.3
[M+Na]+ 493.246178 216.6
[M-H]- 469.249684 223.9
[M+NH4]+ 488.290783 221.3
[M+K]+ 509.220118 209.9
[M+H-H2O]+ 453.254220 202.2
[M+HCOO]- 515.255161 230.7
[M+CH3COO]- 529.270811 220.7
[M+Na-2H]- 491.231626 213.1
[M]+ 470.25641142 212.9
[M]- 470.25750858 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.