CID 514901

102830-68-2

Structural Information

Molecular Formula

C₁₅H₁₅NO₃S

SMILES

CS(=O)(=O)C1=CC2=C(N=C1)OC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C15H15NO3S/c1-20(17,18)13-9-12-7-8-14(19-15(12)16-10-13)11-5-3-2-4-6-11/h2-6,9-10,14H,7-8H2,1H3

InChIKey

AWCZUACANNUUIL-UHFFFAOYSA-N

Compound name

6-methylsulfonyl-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 289.07727 Da
Monoisotopic Mass: 2.3
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]+	290.08455	162.4
[M+Na]+	312.06649	171.0
[M-H]-	288.06999	169.4
[M+NH4]+	307.11109	176.8
[M+K]+	328.04043	167.7
[M+H-H2O]+	272.07453	154.8
[M+HCOO]-	334.07547	175.9
[M+CH3COO]-	348.09112	174.1
[M+Na-2H]-	310.05194	168.7
[M]+	289.07672	164.3
[M]-	289.07782	164.3

Literature stripe

literature stripe

Patent stripe

patents stripe