CID 199279

3-methylphenothiazine

Structural Information

Molecular Formula
C13H11NS
SMILES
CC1=CC2=C(C=C1)NC3=CC=CC=C3S2
InChI
InChI=1S/C13H11NS/c1-9-6-7-11-13(8-9)15-12-5-3-2-4-10(12)14-11/h2-8,14H,1H3
InChIKey
ZTZUBEWGBTVCHW-UHFFFAOYSA-N
Compound name
3-methyl-10H-phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

213.06122 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.068496 141.1
[M+Na]+ 236.050438 150.7
[M-H]- 212.053944 144.0
[M+NH4]+ 231.095043 160.9
[M+K]+ 252.024378 144.7
[M+H-H2O]+ 196.058480 135.0
[M+HCOO]- 258.059421 155.0
[M+CH3COO]- 272.075071 153.6
[M+Na-2H]- 234.035886 148.3
[M]+ 213.06067142 140.6
[M]- 213.06176858 140.6
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