CID 59847

Benzothiazolyl-2-oxaminic acid, methyl ester

Structural Information

Molecular Formula
C10H8N2O3S
SMILES
COC(=O)C(=O)NC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C10H8N2O3S/c1-15-9(14)8(13)12-10-11-6-4-2-3-5-7(6)16-10/h2-5H,1H3,(H,11,12,13)
InChIKey
FWIIRZSCJJVCDU-UHFFFAOYSA-N
Compound name
methyl 2-(1,3-benzothiazol-2-ylamino)-2-oxoacetate
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 148.5
[M+Na]+ 259.01478 158.2
[M-H]- 235.01828 152.8
[M+NH4]+ 254.05938 168.2
[M+K]+ 274.98872 155.7
[M+H-H2O]+ 219.02282 142.3
[M+HCOO]- 281.02376 168.4
[M+CH3COO]- 295.03941 188.0
[M+Na-2H]- 257.00023 152.5
[M]+ 236.02501 153.8
[M]- 236.02611 153.8
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.