CID 10382701

1-pentyl-3-(1-naphthoyl)indole

Structural Information

Molecular Formula
C24H23NO
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3
InChIKey
JDNLPKCAXICMBW-UHFFFAOYSA-N
Compound name
naphthalen-1-yl-(1-pentylindol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

193
References

822
Patents

341.17798 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.18526 185.5
[M+Na]+ 364.16720 193.9
[M-H]- 340.17070 192.6
[M+NH4]+ 359.21180 201.2
[M+K]+ 380.14114 186.5
[M+H-H2O]+ 324.17524 176.1
[M+HCOO]- 386.17618 206.0
[M+CH3COO]- 400.19183 196.2
[M+Na-2H]- 362.15265 188.5
[M]+ 341.17743 189.1
[M]- 341.17853 189.1
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