CID 81131

6631-94-3

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

398
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

literature stripe

Patent stripe

patents stripe