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

443
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 169.2
[M-H]- 283.09105 166.7
[M+NH4]+ 302.13215 179.2
[M+K]+ 323.06149 165.2
[M+H-H2O]+ 267.09559 154.0
[M+HCOO]- 329.09653 176.7
[M+CH3COO]- 343.11218 173.1
[M+Na-2H]- 305.07300 166.7
[M]+ 284.09778 164.5
[M]- 284.09888 164.5
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