CID 56841530

Rcs-4

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

13
References

42
Patents

321.17288 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 178.2
[M+Na]+ 344.16210 193.2
[M+NH4]+ 339.20670 186.3
[M+K]+ 360.13604 185.9
[M-H]- 320.16560 182.4
[M+Na-2H]- 342.14755 185.9
[M]+ 321.17233 181.6
[M]- 321.17343 181.6
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