CID 59853

104388-90-1

Structural Information

Molecular Formula
C10H8N2O3S
SMILES
CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)O
InChI
InChI=1S/C10H8N2O3S/c1-5-2-3-6-7(4-5)16-10(11-6)12-8(13)9(14)15/h2-4H,1H3,(H,14,15)(H,11,12,13)
InChIKey
PMIFYOZRYILPEX-UHFFFAOYSA-N
Compound name
2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.02556 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.03284 149.1
[M+Na]+ 259.01478 159.7
[M+NH4]+ 254.05938 156.2
[M+K]+ 274.98872 155.2
[M-H]- 235.01828 149.6
[M+Na-2H]- 257.00023 153.2
[M]+ 236.02501 150.9
[M]- 236.02611 150.9
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.