CID 10332864

Aulosirazole

Structural Information

Molecular Formula
C12H7NO4S
SMILES
COC1=NSC2=C1C(=O)C3=C(C2=O)C=CC=C3O
InChI
InChI=1S/C12H7NO4S/c1-17-12-8-10(16)7-5(3-2-4-6(7)14)9(15)11(8)18-13-12/h2-4,14H,1H3
InChIKey
SYNUZZXUSLTSQM-UHFFFAOYSA-N
Compound name
5-hydroxy-3-methoxybenzo[f][1,2]benzothiazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

261.00958 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.01686 152.2
[M+Na]+ 283.99880 164.4
[M-H]- 260.00230 156.4
[M+NH4]+ 279.04340 172.2
[M+K]+ 299.97274 160.3
[M+H-H2O]+ 244.00684 147.3
[M+HCOO]- 306.00778 168.2
[M+CH3COO]- 320.02343 165.6
[M+Na-2H]- 281.98425 155.5
[M]+ 261.00903 157.9
[M]- 261.01013 157.9
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