CID 53394450

5-oh-jwh-018

Structural Information

Molecular Formula
C24H23NO2
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=CC=CC=C43)CCCCCO
InChI
InChI=1S/C24H23NO2/c26-16-7-1-6-15-25-17-22(20-12-4-5-14-23(20)25)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17,26H,1,6-7,15-16H2
InChIKey
UGHBAICDASCCIQ-UHFFFAOYSA-N
Compound name
[1-(5-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

17
Patents

357.17288 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.180156 188.3
[M+Na]+ 380.162098 196.0
[M-H]- 356.165604 194.1
[M+NH4]+ 375.206703 202.6
[M+K]+ 396.136038 188.5
[M+H-H2O]+ 340.170140 179.1
[M+HCOO]- 402.171081 207.4
[M+CH3COO]- 416.186731 198.2
[M+Na-2H]- 378.147546 191.1
[M]+ 357.17233142 191.5
[M]- 357.17342858 191.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe