CID 514906

102830-74-0

Structural Information

Molecular Formula
C15H13Cl2NOS
SMILES
CSC1=CC2=C(N=C1)OC(CC2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H13Cl2NOS/c1-20-11-6-10-3-5-14(19-15(10)18-8-11)9-2-4-12(16)13(17)7-9/h2,4,6-8,14H,3,5H2,1H3
InChIKey
WMHPSBWSQPFYCF-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-6-methylsulfanyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

325.0095 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.01678 167.4
[M+Na]+ 347.99872 177.9
[M-H]- 324.00222 173.8
[M+NH4]+ 343.04332 182.4
[M+K]+ 363.97266 172.1
[M+H-H2O]+ 308.00676 161.1
[M+HCOO]- 370.00770 171.9
[M+CH3COO]- 384.02335 178.7
[M+Na-2H]- 345.98417 169.9
[M]+ 325.00895 172.3
[M]- 325.01005 172.3
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.