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 161.8
[M+Na]+ 319.01479 176.0
[M-H]- 295.01829 166.3
[M+NH4]+ 314.05939 179.8
[M+K]+ 334.98873 170.0
[M+H-H2O]+ 279.02283 155.5
[M+HCOO]- 341.02377 178.3
[M+CH3COO]- 355.03942 174.9
[M+Na-2H]- 317.00024 168.5
[M]+ 296.02502 169.5
[M]- 296.02612 169.5
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.