CID 91713112

Am2201 n-(4-hydroxypentyl) metabolite

Structural Information

Molecular Formula
C24H22FNO2
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=CC=CC=C43)CCCC(CF)O
InChI
InChI=1S/C24H22FNO2/c25-15-18(27)9-6-14-26-16-22(20-11-3-4-13-23(20)26)24(28)21-12-5-8-17-7-1-2-10-19(17)21/h1-5,7-8,10-13,16,18,27H,6,9,14-15H2
InChIKey
HTFNNXALSQKDIS-UHFFFAOYSA-N
Compound name
[1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

375.16345 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.17073 191.8
[M+Na]+ 398.15267 206.0
[M+NH4]+ 393.19727 199.3
[M+K]+ 414.12661 198.7
[M-H]- 374.15617 194.8
[M+Na-2H]- 396.13812 198.1
[M]+ 375.16290 194.7
[M]- 375.16400 194.7
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