CID 3068316

Brn 5587057

Structural Information

Molecular Formula
C15H8N2O3S
SMILES
C1=CC=C2C(=C1)N3C(=O)C4=C(C=CC(=C4)C(=O)O)N=C3S2
InChI
InChI=1S/C15H8N2O3S/c18-13-9-7-8(14(19)20)5-6-10(9)16-15-17(13)11-3-1-2-4-12(11)21-15/h1-7H,(H,19,20)
InChIKey
RFDYVBPSHVFJOI-UHFFFAOYSA-N
Compound name
12-oxo-[1,3]benzothiazolo[2,3-b]quinazoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.02557 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.03285 162.2
[M+Na]+ 319.01479 179.0
[M+NH4]+ 314.05939 171.1
[M+K]+ 334.98873 171.3
[M-H]- 295.01829 164.7
[M+Na-2H]- 317.00024 168.6
[M]+ 296.02502 165.9
[M]- 296.02612 165.9
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.