CID 71862

Protizinic acid

Structural Information

Molecular Formula
C17H17NO3S
SMILES
CC(C1=CC2=C(C=C1)SC3=C(N2C)C=CC(=C3)OC)C(=O)O
InChI
InChI=1S/C17H17NO3S/c1-10(17(19)20)11-4-7-15-14(8-11)18(2)13-6-5-12(21-3)9-16(13)22-15/h4-10H,1-3H3,(H,19,20)
InChIKey
VSQMKHNDXWGCDB-UHFFFAOYSA-N
Compound name
2-(7-methoxy-10-methylphenothiazin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

4266
Patents

315.09293 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.100206 169.3
[M+Na]+ 338.082148 177.3
[M-H]- 314.085654 171.9
[M+NH4]+ 333.126753 184.6
[M+K]+ 354.056088 173.0
[M+H-H2O]+ 298.090190 162.4
[M+HCOO]- 360.091131 180.1
[M+CH3COO]- 374.106781 206.5
[M+Na-2H]- 336.067596 171.3
[M]+ 315.09238142 173.2
[M]- 315.09347858 173.2
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