CID 369390

1,8-dimethyl-phenothiazone

Structural Information

Molecular Formula
C14H11NOS
SMILES
CC1=CC2=C(C=C1)SC3=CC(=O)C=C(C3=N2)C
InChI
InChI=1S/C14H11NOS/c1-8-3-4-12-11(5-8)15-14-9(2)6-10(16)7-13(14)17-12/h3-7H,1-2H3
InChIKey
HTRMLOVFQZZCHG-UHFFFAOYSA-N
Compound name
1,8-dimethylphenothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05614 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06342 148.5
[M+Na]+ 264.04536 160.8
[M-H]- 240.04886 153.7
[M+NH4]+ 259.08996 168.3
[M+K]+ 280.01930 155.3
[M+H-H2O]+ 224.05340 141.9
[M+HCOO]- 286.05434 165.1
[M+CH3COO]- 300.06999 162.2
[M+Na-2H]- 262.03081 155.0
[M]+ 241.05559 152.9
[M]- 241.05669 152.9
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.