CID 81131

2-acetylphenothiazine

Structural Information

Molecular Formula
C14H11NOS
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2
InChI
InChI=1S/C14H11NOS/c1-9(16)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)17-14/h2-8,15H,1H3
InChIKey
JWGBOHJGWOPYCL-UHFFFAOYSA-N
Compound name
1-(10H-phenothiazin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

429
Patents

241.05614 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06342 148.9
[M+Na]+ 264.04536 157.6
[M-H]- 240.04886 151.5
[M+NH4]+ 259.08996 167.1
[M+K]+ 280.01930 151.9
[M+H-H2O]+ 224.05340 142.5
[M+HCOO]- 286.05434 161.6
[M+CH3COO]- 300.06999 160.5
[M+Na-2H]- 262.03081 154.5
[M]+ 241.05559 148.7
[M]- 241.05669 148.7
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.