CID 3003299

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

Structural Information

Molecular Formula
C17H18N2O5S
SMILES
CCCCOC(=O)C1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CO2)O
InChI
InChI=1S/C17H18N2O5S/c1-2-3-8-24-16(22)12-7-6-11(10-13(12)20)18-17(25)19-15(21)14-5-4-9-23-14/h4-7,9-10,20H,2-3,8H2,1H3,(H2,18,19,21,25)
InChIKey
ANOJDFNLYWNPTG-UHFFFAOYSA-N
Compound name
butyl 4-(furan-2-carbonylcarbamothioylamino)-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.09363 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10091 186.5
[M+Na]+ 385.08285 190.9
[M-H]- 361.08635 192.5
[M+NH4]+ 380.12745 198.3
[M+K]+ 401.05679 188.4
[M+H-H2O]+ 345.09089 178.8
[M+HCOO]- 407.09183 203.6
[M+CH3COO]- 421.10748 212.9
[M+Na-2H]- 383.06830 185.0
[M]+ 362.09308 190.5
[M]- 362.09418 190.5
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.