CID 71604304

1-pentyl-1h-indole-3-carboxylic acid 8-quinolinyl ester

Structural Information

Molecular Formula
C23H22N2O2
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)OC3=CC=CC4=C3N=CC=C4
InChI
InChI=1S/C23H22N2O2/c1-2-3-6-15-25-16-19(18-11-4-5-12-20(18)25)23(26)27-21-13-7-9-17-10-8-14-24-22(17)21/h4-5,7-14,16H,2-3,6,15H2,1H3
InChIKey
ZAVGICCEAOUWFM-UHFFFAOYSA-N
Compound name
quinolin-8-yl 1-pentylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

243
Patents

358.16812 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17540 188.7
[M+Na]+ 381.15734 197.2
[M-H]- 357.16084 194.5
[M+NH4]+ 376.20194 202.2
[M+K]+ 397.13128 190.6
[M+H-H2O]+ 341.16538 178.3
[M+HCOO]- 403.16632 208.3
[M+CH3COO]- 417.18197 198.8
[M+Na-2H]- 379.14279 192.3
[M]+ 358.16757 193.7
[M]- 358.16867 193.7
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