CID 3078039

Brn 4882085

Structural Information

Molecular Formula
C21H17NO2S
SMILES
CC1=CC(=CC=C1)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C21H17NO2S/c1-15-7-6-8-16(13-15)24-14-21(23)22-17-9-2-4-11-19(17)25-20-12-5-3-10-18(20)22/h2-13H,14H2,1H3
InChIKey
FIUCBUKREFBMJI-UHFFFAOYSA-N
Compound name
2-(3-methylphenoxy)-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.098 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10528 178.2
[M+Na]+ 370.08722 195.0
[M+NH4]+ 365.13182 188.3
[M+K]+ 386.06116 183.3
[M-H]- 346.09072 184.5
[M+Na-2H]- 368.07267 187.4
[M]+ 347.09745 183.2
[M]- 347.09855 183.2
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

No patent data available for this compound.