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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe