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]+ 244.04268 147.4
[M+Na]+ 266.02462 159.4
[M-H]- 242.02812 153.1
[M+NH4]+ 261.06922 165.5
[M+K]+ 281.99856 155.7
[M+H-H2O]+ 226.03266 140.6
[M+HCOO]- 288.03360 163.9
[M+CH3COO]- 302.04925 161.1
[M+Na-2H]- 264.01007 155.8
[M]+ 243.03485 153.0
[M]- 243.03595 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.