CID 68846

Dacemazine

Structural Information

Molecular Formula
C16H16N2OS
SMILES
CN(C)CC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C16H16N2OS/c1-17(2)11-16(19)18-12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)18/h3-10H,11H2,1-2H3
InChIKey
HKUCYAHWPVLPFN-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

434
Patents

284.09833 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10561 161.8
[M+Na]+ 307.08755 175.5
[M+NH4]+ 302.13215 171.7
[M+K]+ 323.06149 165.7
[M-H]- 283.09105 166.2
[M+Na-2H]- 305.07300 168.7
[M]+ 284.09778 165.6
[M]- 284.09888 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe