CID 3050291

66146-56-3

Structural Information

Molecular Formula
C16H15NO3S
SMILES
CC(C1=CC2=C(C=C1)SC3=C(N2C)C=CC(=C3)O)C(=O)O
InChI
InChI=1S/C16H15NO3S/c1-9(16(19)20)10-3-6-14-13(7-10)17(2)12-5-4-11(18)8-15(12)21-14/h3-9,18H,1-2H3,(H,19,20)
InChIKey
QXTZRBBVCGYBDE-UHFFFAOYSA-N
Compound name
2-(7-hydroxy-10-methylphenothiazin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.07727 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.08455 165.7
[M+Na]+ 324.06649 178.7
[M+NH4]+ 319.11109 173.9
[M+K]+ 340.04043 170.9
[M-H]- 300.06999 167.4
[M+Na-2H]- 322.05194 169.7
[M]+ 301.07672 168.5
[M]- 301.07782 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.