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]+ 358.180156 188.5
[M+Na]+ 380.162098 195.8
[M-H]- 356.165604 194.3
[M+NH4]+ 375.206703 202.6
[M+K]+ 396.136038 188.9
[M+H-H2O]+ 340.170140 179.5
[M+HCOO]- 402.171081 206.6
[M+CH3COO]- 416.186731 198.2
[M+Na-2H]- 378.147546 190.2
[M]+ 357.17233142 191.1
[M]- 357.17342858 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.