CID 391088

Nsc689623

Structural Information

Molecular Formula
C13H9NOS
SMILES
CC1=C2C(=O)C3=CC=CC=C3SC2=NC=C1
InChI
InChI=1S/C13H9NOS/c1-8-6-7-14-13-11(8)12(15)9-4-2-3-5-10(9)16-13/h2-7H,1H3
InChIKey
GXJACKJMPVJWHZ-UHFFFAOYSA-N
Compound name
4-methylthiochromeno[2,3-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.04048 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04776 143.4
[M+Na]+ 250.02970 156.4
[M-H]- 226.03320 148.9
[M+NH4]+ 245.07430 163.6
[M+K]+ 266.00364 150.9
[M+H-H2O]+ 210.03774 136.9
[M+HCOO]- 272.03868 161.9
[M+CH3COO]- 286.05433 157.7
[M+Na-2H]- 248.01515 152.0
[M]+ 227.03993 148.5
[M]- 227.04103 148.5
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.