CID 71015

10-methylphenothiazine

Structural Information

Molecular Formula
C13H11NS
SMILES
CN1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C13H11NS/c1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,1H3
InChIKey
QXBUYALKJGBACG-UHFFFAOYSA-N
Compound name
10-methylphenothiazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

22
References

4058
Patents

213.06122 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06850 141.3
[M+Na]+ 236.05044 151.2
[M-H]- 212.05394 145.6
[M+NH4]+ 231.09504 161.7
[M+K]+ 252.02438 146.2
[M+H-H2O]+ 196.05848 134.7
[M+HCOO]- 258.05942 156.7
[M+CH3COO]- 272.07507 154.4
[M+Na-2H]- 234.03589 148.7
[M]+ 213.06067 142.5
[M]- 213.06177 142.5
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