CID 5100614

2-cyano-n-[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]acetamide

Structural Information

Molecular Formula
C12H9N3O3S
SMILES
C1=CC(=C(C=C1C2=CSC(=N2)NC(=O)CC#N)O)O
InChI
InChI=1S/C12H9N3O3S/c13-4-3-11(18)15-12-14-8(6-19-12)7-1-2-9(16)10(17)5-7/h1-2,5-6,16-17H,3H2,(H,14,15,18)
InChIKey
YKRGBAKFZFYMQF-UHFFFAOYSA-N
Compound name
2-cyano-N-[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.03647 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04375 167.2
[M+Na]+ 298.02569 177.4
[M-H]- 274.02919 170.1
[M+NH4]+ 293.07029 181.1
[M+K]+ 313.99963 172.6
[M+H-H2O]+ 258.03373 153.6
[M+HCOO]- 320.03467 180.8
[M+CH3COO]- 334.05032 203.7
[M+Na-2H]- 296.01114 166.9
[M]+ 275.03592 163.2
[M]- 275.03702 163.2
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.