CID 377558

Nsc659125

Structural Information

Molecular Formula

C₁₅H₁₅NOS

SMILES

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)O

InChI

InChI=1S/C15H15NOS/c1-11(17)10-16-12-6-2-4-8-14(12)18-15-9-5-3-7-13(15)16/h2-9,11,17H,10H2,1H3

InChIKey

OOARYLWNROHOKX-UHFFFAOYSA-N

Compound name

1-phenothiazin-10-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 257.08743 Da
Monoisotopic Mass: 4.1
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]+	258.09471	154.1
[M+Na]+	280.07665	162.1
[M-H]-	256.08015	156.6
[M+NH4]+	275.12125	171.8
[M+K]+	296.05059	156.8
[M+H-H2O]+	240.08469	147.5
[M+HCOO]-	302.08563	166.4
[M+CH3COO]-	316.10128	165.3
[M+Na-2H]-	278.06210	159.3
[M]+	257.08688	155.0
[M]-	257.08798	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe