CID 350929

2-chloro-7-methoxy-10h-phenothiazine

Structural Information

Molecular Formula
C13H10ClNOS
SMILES
COC1=CC2=C(C=C1)NC3=C(S2)C=CC(=C3)Cl
InChI
InChI=1S/C13H10ClNOS/c1-16-9-3-4-10-13(7-9)17-12-5-2-8(14)6-11(12)15-10/h2-7,15H,1H3
InChIKey
VGCKEWCZFDSELD-UHFFFAOYSA-N
Compound name
2-chloro-7-methoxy-10H-phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

263.01715 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.02443 150.7
[M+Na]+ 286.00637 161.5
[M-H]- 262.00987 153.7
[M+NH4]+ 281.05097 169.4
[M+K]+ 301.98031 154.8
[M+H-H2O]+ 246.01441 145.3
[M+HCOO]- 308.01535 160.1
[M+CH3COO]- 322.03100 162.8
[M+Na-2H]- 283.99182 156.8
[M]+ 263.01660 154.0
[M]- 263.01770 154.0
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