CID 3003295

Methyl 4-[3-(2-furoyl)] thioureido salicylate

Structural Information

Molecular Formula
C14H12N2O5S
SMILES
COC(=O)C1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CO2)O
InChI
InChI=1S/C14H12N2O5S/c1-20-13(19)9-5-4-8(7-10(9)17)15-14(22)16-12(18)11-3-2-6-21-11/h2-7,17H,1H3,(H2,15,16,18,22)
InChIKey
GDPPHOCQPJHQJE-UHFFFAOYSA-N
Compound name
methyl 4-(furan-2-carbonylcarbamothioylamino)-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0467 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.053976 173.2
[M+Na]+ 343.035918 179.0
[M-H]- 319.039424 179.8
[M+NH4]+ 338.080523 186.8
[M+K]+ 359.009858 177.1
[M+H-H2O]+ 303.043960 166.1
[M+HCOO]- 365.044901 191.4
[M+CH3COO]- 379.060551 204.0
[M+Na-2H]- 341.021366 173.1
[M]+ 320.04615142 176.2
[M]- 320.04724858 176.2
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.