CID 3080467

7h-indeno(2,1-c)quinoline, 6-(2-thienyl)-

Structural Information

Molecular Formula
C20H13NS
SMILES
C1C2=CC=CC=C2C3=C1C(=NC4=CC=CC=C43)C5=CC=CS5
InChI
InChI=1S/C20H13NS/c1-2-7-14-13(6-1)12-16-19(14)15-8-3-4-9-17(15)21-20(16)18-10-5-11-22-18/h1-11H,12H2
InChIKey
QUVCAPQQZJTEBX-UHFFFAOYSA-N
Compound name
6-thiophen-2-yl-7H-indeno[2,1-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.07687 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08415 167.8
[M+Na]+ 322.06609 180.9
[M-H]- 298.06959 177.8
[M+NH4]+ 317.11069 189.6
[M+K]+ 338.04003 173.7
[M+H-H2O]+ 282.07413 161.7
[M+HCOO]- 344.07507 186.9
[M+CH3COO]- 358.09072 181.4
[M+Na-2H]- 320.05154 171.6
[M]+ 299.07632 173.1
[M]- 299.07742 173.1
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.