CID 3068156

Acetic acid, oxo((4-(2-thienyl)-2-thiazolyl)amino)-, ethyl ester

Structural Information

Molecular Formula
C11H10N2O3S2
SMILES
CCOC(=O)C(=O)NC1=NC(=CS1)C2=CC=CS2
InChI
InChI=1S/C11H10N2O3S2/c1-2-16-10(15)9(14)13-11-12-7(6-18-11)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,12,13,14)
InChIKey
MRIVUSUMVVVZHI-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.01328 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.02056 163.1
[M+Na]+ 305.00250 172.8
[M-H]- 281.00600 169.9
[M+NH4]+ 300.04710 181.9
[M+K]+ 320.97644 169.3
[M+H-H2O]+ 265.01054 157.0
[M+HCOO]- 327.01148 179.6
[M+CH3COO]- 341.02713 194.1
[M+Na-2H]- 302.98795 161.6
[M]+ 282.01273 169.3
[M]- 282.01383 169.3
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.