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]+ 321.05398 173.2
[M+Na]+ 343.03592 179.0
[M-H]- 319.03942 179.8
[M+NH4]+ 338.08052 186.8
[M+K]+ 359.00986 177.1
[M+H-H2O]+ 303.04396 166.1
[M+HCOO]- 365.04490 191.4
[M+CH3COO]- 379.06055 204.0
[M+Na-2H]- 341.02137 173.1
[M]+ 320.04615 176.2
[M]- 320.04725 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.