CID 2112185

10-((4-methylphenoxy)acetyl)-10h-phenothiazine

Structural Information

Molecular Formula
C21H17NO2S
SMILES
CC1=CC=C(C=C1)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C21H17NO2S/c1-15-10-12-16(13-11-15)24-14-21(23)22-17-6-2-4-8-19(17)25-20-9-5-3-7-18(20)22/h2-13H,14H2,1H3
InChIKey
POLJZERRBRDYRA-UHFFFAOYSA-N
Compound name
2-(4-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 179.4
[M+Na]+ 370.08722 187.4
[M-H]- 346.09072 186.0
[M+NH4]+ 365.13182 193.5
[M+K]+ 386.06116 181.2
[M+H-H2O]+ 330.09526 170.3
[M+HCOO]- 392.09620 192.8
[M+CH3COO]- 406.11185 189.5
[M+Na-2H]- 368.07267 183.6
[M]+ 347.09745 182.2
[M]- 347.09855 182.2
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.