CID 76974819

1320363-47-0

Structural Information

Molecular Formula
C24H23NO2
SMILES
CC(CCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)O
InChI
InChI=1S/C24H23NO2/c1-17(26)8-7-15-25-16-22(20-12-4-5-14-23(20)25)24(27)21-13-6-10-18-9-2-3-11-19(18)21/h2-6,9-14,16-17,26H,7-8,15H2,1H3
InChIKey
LLFBQQHYZJTRAS-UHFFFAOYSA-N
Compound name
[1-(4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

357.17288 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.18016 188.5
[M+Na]+ 380.16210 195.8
[M-H]- 356.16560 194.3
[M+NH4]+ 375.20670 202.6
[M+K]+ 396.13604 188.9
[M+H-H2O]+ 340.17014 179.5
[M+HCOO]- 402.17108 206.6
[M+CH3COO]- 416.18673 198.2
[M+Na-2H]- 378.14755 190.2
[M]+ 357.17233 191.1
[M]- 357.17343 191.1
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