CID 352307

362-03-8

Structural Information

Molecular Formula

C₁₅H₁₃NO₂S

SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)O

InChI

InChI=1S/C15H13NO2S/c17-15(18)9-10-16-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)16/h1-8H,9-10H2,(H,17,18)

InChIKey

VNTAONUWHQBAMC-UHFFFAOYSA-N

Compound name

3-phenothiazin-10-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 1289
Patents: 271.0667 Da
Monoisotopic Mass: 3.7
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]+	272.07398	157.6
[M+Na]+	294.05592	171.6
[M+NH4]+	289.10052	167.1
[M+K]+	310.02986	161.9
[M-H]-	270.05942	160.5
[M+Na-2H]-	292.04137	163.7
[M]+	271.06615	161.0
[M]-	271.06725	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe