CID 74490

2-methoxyphenothiazine

Structural Information

Molecular Formula
C13H11NOS
SMILES
COC1=CC2=C(C=C1)SC3=CC=CC=C3N2
InChI
InChI=1S/C13H11NOS/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
InChIKey
DLYKFPHPBCTAKD-UHFFFAOYSA-N
Compound name
2-methoxy-10H-phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

618
Patents

229.05614 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06342 144.8
[M+Na]+ 252.04536 154.2
[M-H]- 228.04886 147.7
[M+NH4]+ 247.08996 163.8
[M+K]+ 268.01930 148.8
[M+H-H2O]+ 212.05340 138.5
[M+HCOO]- 274.05434 158.9
[M+CH3COO]- 288.06999 157.1
[M+Na-2H]- 250.03081 152.1
[M]+ 229.05559 145.7
[M]- 229.05669 145.7
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