CID 3049784

Brn 1164798

Structural Information

Molecular Formula

C₁₇H₁₇ClN₂O₃S

SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)N(CCO)CCO

InChI

InChI=1S/C17H17ClN2O3S/c18-12-5-6-16-14(11-12)20(13-3-1-2-4-15(13)24-16)17(23)19(7-9-21)8-10-22/h1-6,11,21-22H,7-10H2

InChIKey

WOFGZPMVQMGMBV-UHFFFAOYSA-N

Compound name

2-chloro-N,N-bis(2-hydroxyethyl)phenothiazine-10-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 364.06485 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]+	365.072126	176.8
[M+Na]+	387.054068	183.9
[M-H]-	363.057574	178.9
[M+NH4]+	382.098673	190.6
[M+K]+	403.028008	178.2
[M+H-H2O]+	347.062110	170.5
[M+HCOO]-	409.063051	184.3
[M+CH3COO]-	423.078701	212.6
[M+Na-2H]-	385.039516	180.1
[M]+	364.06430142	181.7
[M]-	364.06539858	181.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.