CID 3076999

2-(5-hexyloxy-1h-indol-2-ylthio)-2-phenylpropanol

Structural Information

Molecular Formula
C23H29NO2S
SMILES
CCCCCCOC1=CC2=C(C=C1)NC(=C2)SC(C)(CO)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO2S/c1-3-4-5-9-14-26-20-12-13-21-18(15-20)16-22(24-21)27-23(2,17-25)19-10-7-6-8-11-19/h6-8,10-13,15-16,24-25H,3-5,9,14,17H2,1-2H3
InChIKey
UKXKKLXPRFBSJG-UHFFFAOYSA-N
Compound name
2-[(5-hexoxy-1H-indol-2-yl)sulfanyl]-2-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

383.1919 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.19918 195.1
[M+Na]+ 406.18112 207.7
[M+NH4]+ 401.22572 202.7
[M+K]+ 422.15506 198.8
[M-H]- 382.18462 198.2
[M+Na-2H]- 404.16657 201.2
[M]+ 383.19135 198.4
[M]- 383.19245 198.4
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

patents stripe