CID 59848

104388-85-4

Structural Information

Molecular Formula
C11H10N2O3S
SMILES
CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)OC
InChI
InChI=1S/C11H10N2O3S/c1-6-3-4-7-8(5-6)17-11(12-7)13-9(14)10(15)16-2/h3-5H,1-2H3,(H,12,13,14)
InChIKey
AYLUXTHINBJKHL-UHFFFAOYSA-N
Compound name
methyl 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.04121 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04849 152.9
[M+Na]+ 273.03043 162.9
[M-H]- 249.03393 157.3
[M+NH4]+ 268.07503 172.3
[M+K]+ 289.00437 160.2
[M+H-H2O]+ 233.03847 146.7
[M+HCOO]- 295.03941 172.4
[M+CH3COO]- 309.05506 192.2
[M+Na-2H]- 271.01588 155.7
[M]+ 250.04066 158.9
[M]- 250.04176 158.9
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.