CID 3003286

Ethyl 4-(benzoylcarbamothioylamino)-2-hydroxy-benzoate

Structural Information

Molecular Formula
C17H16N2O4S
SMILES
CCOC(=O)C1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C17H16N2O4S/c1-2-23-16(22)13-9-8-12(10-14(13)20)18-17(24)19-15(21)11-6-4-3-5-7-11/h3-10,20H,2H2,1H3,(H2,18,19,21,24)
InChIKey
HIKDGCOSVLWWKP-UHFFFAOYSA-N
Compound name
ethyl 4-(benzoylcarbamothioylamino)-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.08307 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09035 179.2
[M+Na]+ 367.07229 183.7
[M-H]- 343.07579 184.2
[M+NH4]+ 362.11689 191.1
[M+K]+ 383.04623 179.4
[M+H-H2O]+ 327.08033 170.9
[M+HCOO]- 389.08127 196.1
[M+CH3COO]- 403.09692 210.7
[M+Na-2H]- 365.05774 179.1
[M]+ 344.08252 180.3
[M]- 344.08362 180.3
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.