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]+ 267.04341 157.9
[M+Na]+ 289.02535 167.2
[M-H]- 265.02885 164.5
[M+NH4]+ 284.06995 175.1
[M+K]+ 304.99929 165.6
[M+H-H2O]+ 249.03339 151.9
[M+HCOO]- 311.03433 177.8
[M+CH3COO]- 325.04998 191.8
[M+Na-2H]- 287.01080 157.9
[M]+ 266.03558 163.7
[M]- 266.03668 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.