CID 63031

Dioxopromethazine

Structural Information

Molecular Formula

C₁₇H₂₀N₂O₂S

SMILES

CC(CN1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31)N(C)C

InChI

InChI=1S/C17H20N2O2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)22(20,21)17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3

InChIKey

FDXKCOBAFGSMDJ-UHFFFAOYSA-N

Compound name

1-(5,5-dioxophenothiazin-10-yl)-N,N-dimethylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 103
Patents: 316.12454 Da
Monoisotopic Mass: 3.5
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]+	317.13182	170.1
[M+Na]+	339.11376	183.5
[M+NH4]+	334.15836	180.3
[M+K]+	355.08770	172.4
[M-H]-	315.11726	173.6
[M+Na-2H]-	337.09921	177.5
[M]+	316.12399	173.7
[M]-	316.12509	173.7

Literature stripe

literature stripe

Patent stripe

patents stripe