CID 119114

Teniloxazine maleate

Structural Information

Molecular Formula

C₁₆H₁₉NO₂S

SMILES

C1COC(CN1)COC2=CC=CC=C2CC3=CC=CS3

InChI

InChI=1S/C16H19NO2S/c1-2-6-16(19-12-14-11-17-7-8-18-14)13(4-1)10-15-5-3-9-20-15/h1-6,9,14,17H,7-8,10-12H2

InChIKey

OILWWIVKIDXCIB-UHFFFAOYSA-N

Compound name

2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 1427
Patents: 289.11365 Da
Monoisotopic Mass: 2.8
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]+	290.12093	165.4
[M+Na]+	312.10287	177.8
[M+NH4]+	307.14747	174.4
[M+K]+	328.07681	170.1
[M-H]-	288.10637	172.0
[M+Na-2H]-	310.08832	172.8
[M]+	289.11310	169.5
[M]-	289.11420	169.5

Literature stripe

literature stripe

Patent stripe

patents stripe