CID 3080463

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

Structural Information

Molecular Formula
C20H11NOS
SMILES
C1=CC=C2C(=C1)C3=C(C2=O)C(=NC4=CC=CC=C43)C5=CC=CS5
InChI
InChI=1S/C20H11NOS/c22-20-13-7-2-1-6-12(13)17-14-8-3-4-9-15(14)21-19(18(17)20)16-10-5-11-23-16/h1-11H
InChIKey
MRYJZGFSTHJFQY-UHFFFAOYSA-N
Compound name
6-thiophen-2-ylindeno[2,1-c]quinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.05612 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.06340 171.7
[M+Na]+ 336.04534 185.6
[M-H]- 312.04884 182.1
[M+NH4]+ 331.08994 193.0
[M+K]+ 352.01928 178.5
[M+H-H2O]+ 296.05338 165.8
[M+HCOO]- 358.05432 191.1
[M+CH3COO]- 372.06997 185.4
[M+Na-2H]- 334.03079 175.0
[M]+ 313.05557 178.1
[M]- 313.05667 178.1
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.