CID 201242

1-thiochromono(3',2':3,4)quinoline

Structural Information

Molecular Formula
C16H9NOS
SMILES
C1=CC=C2C(=C1)C3=C(C=N2)C(=O)C4=CC=CC=C4S3
InChI
InChI=1S/C16H9NOS/c18-15-11-6-2-4-8-14(11)19-16-10-5-1-3-7-13(10)17-9-12(15)16/h1-9H
InChIKey
LXQQDDZCISEOEJ-UHFFFAOYSA-N
Compound name
thiochromeno[3,2-c]quinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0405 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.04778 152.3
[M+Na]+ 286.02972 165.2
[M-H]- 262.03322 158.3
[M+NH4]+ 281.07432 171.7
[M+K]+ 302.00366 158.5
[M+H-H2O]+ 246.03776 144.9
[M+HCOO]- 308.03870 169.5
[M+CH3COO]- 322.05435 165.8
[M+Na-2H]- 284.01517 162.7
[M]+ 263.03995 157.1
[M]- 263.04105 157.1
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.