CID 59850

Acetic acid, ((6-nitro-2-benzothiazolyl)amino)oxo-, methyl ester

Structural Information

Molecular Formula
C10H7N3O5S
SMILES
COC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H7N3O5S/c1-18-9(15)8(14)12-10-11-6-3-2-5(13(16)17)4-7(6)19-10/h2-4H,1H3,(H,11,12,14)
InChIKey
OMGXXYXKRYICJM-UHFFFAOYSA-N
Compound name
methyl 2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.01065 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.01793 154.7
[M+Na]+ 303.99987 165.1
[M+NH4]+ 299.04447 160.8
[M+K]+ 319.97381 164.1
[M-H]- 280.00337 156.0
[M+Na-2H]- 301.98532 158.5
[M]+ 281.01010 156.5
[M]- 281.01120 156.5
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.