CID 4164

Metiazinic acid

Structural Information

Molecular Formula
C15H13NO2S
SMILES
CN1C2=CC=CC=C2SC3=C1C=C(C=C3)CC(=O)O
InChI
InChI=1S/C15H13NO2S/c1-16-11-4-2-3-5-13(11)19-14-7-6-10(8-12(14)16)9-15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKey
LMINNBXUMGNKMM-UHFFFAOYSA-N
Compound name
2-(10-methylphenothiazin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3919
Patents

271.0667 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07398 157.9
[M+Na]+ 294.05592 172.3
[M+NH4]+ 289.10052 167.4
[M+K]+ 310.02986 162.8
[M-H]- 270.05942 160.9
[M+Na-2H]- 292.04137 163.8
[M]+ 271.06615 161.4
[M]- 271.06725 161.4
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