CID 3041165

2,1,3-benzothia(s iv)diazole-4,7-diol, 5-methyl-, diacetate

Structural Information

Molecular Formula
C11H10N2O4S
SMILES
CC1=C(C2=NSN=C2C(=C1)OC(=O)C)OC(=O)C
InChI
InChI=1S/C11H10N2O4S/c1-5-4-8(16-6(2)14)9-10(13-18-12-9)11(5)17-7(3)15/h4H,1-3H3
InChIKey
GWSPEBNBGPGFDV-UHFFFAOYSA-N
Compound name
(4-acetyloxy-5-methyl-2,1,3-benzothiadiazol-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.03613 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04341 157.6
[M+Na]+ 289.02535 169.6
[M+NH4]+ 284.06995 164.1
[M+K]+ 304.99929 165.0
[M-H]- 265.02885 157.1
[M+Na-2H]- 287.01080 161.1
[M]+ 266.03558 159.4
[M]- 266.03668 159.4
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

No patent data available for this compound.