CID 14103319

2-(methylthio)-3h-phenoxazin-3-one

Structural Information

Molecular Formula
C13H9NO2S
SMILES
CSC1=CC2=NC3=CC=CC=C3OC2=CC1=O
InChI
InChI=1S/C13H9NO2S/c1-17-13-6-9-12(7-10(13)15)16-11-5-3-2-4-8(11)14-9/h2-7H,1H3
InChIKey
XSOVEYYOJRSJQH-UHFFFAOYSA-N
Compound name
2-methylsulfanylphenoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

243.0354 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.042676 147.4
[M+Na]+ 266.024618 159.4
[M-H]- 242.028124 153.1
[M+NH4]+ 261.069223 165.5
[M+K]+ 281.998558 155.7
[M+H-H2O]+ 226.032660 140.6
[M+HCOO]- 288.033601 163.9
[M+CH3COO]- 302.049251 161.1
[M+Na-2H]- 264.010066 155.8
[M]+ 243.03485142 153.0
[M]- 243.03594858 153.0
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.