CID 7108

Phenothiazine

Structural Information

Molecular Formula
C12H9NS
SMILES
C1=CC=C2C(=C1)NC3=CC=CC=C3S2
InChI
InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
InChIKey
WJFKNYWRSNBZNX-UHFFFAOYSA-N
Compound name
10H-phenothiazine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

3251
References

115960
Patents

199.04558 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05286 137.7
[M+Na]+ 222.03480 153.4
[M+NH4]+ 217.07940 149.3
[M+K]+ 238.00874 142.5
[M-H]- 198.03830 142.3
[M+Na-2H]- 220.02025 146.2
[M]+ 199.04503 142.0
[M]- 199.04613 142.0
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