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 154.0
[M+Na]+ 276.97120 164.0
[M-H]- 252.97470 159.7
[M+NH4]+ 272.01580 173.2
[M+K]+ 292.94514 160.1
[M+H-H2O]+ 236.97924 148.5
[M+HCOO]- 298.98018 169.6
[M+CH3COO]- 312.99583 186.5
[M+Na-2H]- 274.95665 153.1
[M]+ 253.98143 157.9
[M]- 253.98253 157.9
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

patents stripe