CID 16771840

2-[2-(2-methylfuran-3-amido)-1,3-thiazol-4-yl]acetic acid

Structural Information

Molecular Formula
C11H10N2O4S
SMILES
CC1=C(C=CO1)C(=O)NC2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C11H10N2O4S/c1-6-8(2-3-17-6)10(16)13-11-12-7(5-18-11)4-9(14)15/h2-3,5H,4H2,1H3,(H,14,15)(H,12,13,16)
InChIKey
NPFJVLUVGXJMQV-UHFFFAOYSA-N
Compound name
2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.03613 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.043406 157.9
[M+Na]+ 289.025348 167.2
[M-H]- 265.028854 164.5
[M+NH4]+ 284.069953 175.1
[M+K]+ 304.999288 165.6
[M+H-H2O]+ 249.033390 151.9
[M+HCOO]- 311.034331 177.8
[M+CH3COO]- 325.049981 191.8
[M+Na-2H]- 287.010796 157.9
[M]+ 266.03558142 163.7
[M]- 266.03667858 163.7
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.