CID 3057215

73986-62-6

Structural Information

Molecular Formula
C15H13NO4S
SMILES
CCN1C2=CC=CC=C2S(=O)(=O)C3=C(C=CC=C31)C(=O)O
InChI
InChI=1S/C15H13NO4S/c1-2-16-11-7-3-4-9-13(11)21(19,20)14-10(15(17)18)6-5-8-12(14)16/h3-9H,2H2,1H3,(H,17,18)
InChIKey
HMTPZIAQPWIBKV-UHFFFAOYSA-N
Compound name
10-ethyl-5,5-dioxophenothiazine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.05652 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.06380 164.8
[M+Na]+ 326.04574 178.6
[M+NH4]+ 321.09034 173.9
[M+K]+ 342.01968 168.5
[M-H]- 302.04924 166.2
[M+Na-2H]- 324.03119 170.9
[M]+ 303.05597 167.8
[M]- 303.05707 167.8
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.