CID 3068157

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

Structural Information

Molecular Formula
C9H6N2O3S2
SMILES
C1=CSC(=C1)C2=CSC(=N2)NC(=O)C(=O)O
InChI
InChI=1S/C9H6N2O3S2/c12-7(8(13)14)11-9-10-5(4-16-9)6-2-1-3-15-6/h1-4H,(H,13,14)(H,10,11,12)
InChIKey
GADGGECYPDBRQA-UHFFFAOYSA-N
Compound name
2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.98198 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.98926 153.2
[M+Na]+ 276.97120 161.9
[M+NH4]+ 272.01580 160.3
[M+K]+ 292.94514 157.8
[M-H]- 252.97470 154.7
[M+Na-2H]- 274.95665 157.6
[M]+ 253.98143 155.4
[M]- 253.98253 155.4
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

patents stripe