CID 3003297

Propyl 4-(furan-2-carbonylcarbamothioylamino)-2-hydroxy-benzoate

Structural Information

Molecular Formula
C16H16N2O5S
SMILES
CCCOC(=O)C1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CO2)O
InChI
InChI=1S/C16H16N2O5S/c1-2-7-23-15(21)11-6-5-10(9-12(11)19)17-16(24)18-14(20)13-4-3-8-22-13/h3-6,8-9,19H,2,7H2,1H3,(H2,17,18,20,24)
InChIKey
IUPRXMSDEYCLOJ-UHFFFAOYSA-N
Compound name
propyl 4-(furan-2-carbonylcarbamothioylamino)-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.078 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.08528 182.1
[M+Na]+ 371.06722 187.0
[M-H]- 347.07072 188.3
[M+NH4]+ 366.11182 194.5
[M+K]+ 387.04116 184.7
[M+H-H2O]+ 331.07526 174.6
[M+HCOO]- 393.07620 199.5
[M+CH3COO]- 407.09185 209.9
[M+Na-2H]- 369.05267 181.0
[M]+ 348.07745 185.7
[M]- 348.07855 185.7
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.