CID 91740911

[1-(2-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone

Structural Information

Molecular Formula
C24H23NO2
SMILES
CCCC(CN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)O
InChI
InChI=1S/C24H23NO2/c1-2-8-18(26)15-25-16-22(20-12-5-6-14-23(20)25)24(27)21-13-7-10-17-9-3-4-11-19(17)21/h3-7,9-14,16,18,26H,2,8,15H2,1H3
InChIKey
ICOUPJBNCNTOKV-UHFFFAOYSA-N
Compound name
[1-(2-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.17288 Da
Monoisotopic Mass

5.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.