CID 70665

1090-78-4

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂S₂

SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2

InChI

InChI=1S/C14H14N2O2S2/c1-16(2)20(17,18)10-7-8-14-12(9-10)15-11-5-3-4-6-13(11)19-14/h3-9,15H,1-2H3

InChIKey

KMMXCCWCGOUAGH-UHFFFAOYSA-N

Compound name

N,N-dimethyl-10H-phenothiazine-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 306.04968 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]+	307.05696	162.4
[M+Na]+	329.03890	170.7
[M-H]-	305.04240	165.6
[M+NH4]+	324.08350	178.3
[M+K]+	345.01284	165.2
[M+H-H2O]+	289.04694	156.2
[M+HCOO]-	351.04788	170.9
[M+CH3COO]-	365.06353	172.9
[M+Na-2H]-	327.02435	169.1
[M]+	306.04913	164.6
[M]-	306.05023	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe