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
8
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 178.8
[M+Na]+ 344.16210 187.2
[M-H]- 320.16560 185.3
[M+NH4]+ 339.20670 194.7
[M+K]+ 360.13604 181.8
[M+H-H2O]+ 304.17014 170.0
[M+HCOO]- 366.17108 201.0
[M+CH3COO]- 380.18673 210.2
[M+Na-2H]- 342.14755 180.9
[M]+ 321.17233 184.3
[M]- 321.17343 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

literature stripe

Patent stripe

patents stripe