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
9
Annotation Hits

3259
References

117892
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 136.2
[M+Na]+ 222.03480 145.3
[M-H]- 198.03830 139.0
[M+NH4]+ 217.07940 156.2
[M+K]+ 238.00874 139.6
[M+H-H2O]+ 182.04284 130.1
[M+HCOO]- 244.04378 150.5
[M+CH3COO]- 258.05943 148.8
[M+Na-2H]- 220.02025 144.7
[M]+ 199.04503 135.0
[M]- 199.04613 135.0
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.