CID 57507911

1345966-76-8

Structural Information

Molecular Formula
C21H23NO2
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC=C3OC
InChI
InChI=1S/C21H23NO2/c1-3-4-9-14-22-15-18(16-10-5-7-12-19(16)22)21(23)17-11-6-8-13-20(17)24-2/h5-8,10-13,15H,3-4,9,14H2,1-2H3
InChIKey
NJRFLQZVMFTRAS-UHFFFAOYSA-N
Compound name
(2-methoxyphenyl)-(1-pentylindol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

321.17288 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.180156 178.8
[M+Na]+ 344.162098 187.2
[M-H]- 320.165604 185.3
[M+NH4]+ 339.206703 194.7
[M+K]+ 360.136038 181.8
[M+H-H2O]+ 304.170140 170.0
[M+HCOO]- 366.171081 201.0
[M+CH3COO]- 380.186731 210.2
[M+Na-2H]- 342.147546 180.9
[M]+ 321.17233142 184.3
[M]- 321.17342858 184.3
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.