CID 122182

4-bromo-2,7-dimethoxy-3h-phenothiazin-3-one

Structural Information

Molecular Formula
C14H10BrNO3S
SMILES
COC1=CC2=C(C=C1)N=C3C=C(C(=O)C(=C3S2)Br)OC
InChI
InChI=1S/C14H10BrNO3S/c1-18-7-3-4-8-11(5-7)20-14-9(16-8)6-10(19-2)13(17)12(14)15/h3-6H,1-2H3
InChIKey
YADZEEVOBOJZRG-UHFFFAOYSA-N
Compound name
4-bromo-2,7-dimethoxyphenothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

127
Patents

350.95648 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.96376 158.1
[M+Na]+ 373.94570 173.1
[M-H]- 349.94920 165.9
[M+NH4]+ 368.99030 177.2
[M+K]+ 389.91964 161.4
[M+H-H2O]+ 333.95374 157.9
[M+HCOO]- 395.95468 173.0
[M+CH3COO]- 409.97033 173.0
[M+Na-2H]- 371.93115 165.8
[M]+ 350.95593 183.9
[M]- 350.95703 183.9
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