CID 847562

5-(3-benzoylthioureido)-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C15H12N2O4S
SMILES
C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C15H12N2O4S/c18-12-7-6-10(8-11(12)14(20)21)16-15(22)17-13(19)9-4-2-1-3-5-9/h1-8,18H,(H,20,21)(H2,16,17,19,22)
InChIKey
VSXWNCFSXXHNAN-UHFFFAOYSA-N
Compound name
5-(benzoylcarbamothioylamino)-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

316.0518 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05908 170.0
[M+Na]+ 339.04102 174.9
[M-H]- 315.04452 174.0
[M+NH4]+ 334.08562 182.3
[M+K]+ 355.01496 170.2
[M+H-H2O]+ 299.04906 162.4
[M+HCOO]- 361.05000 186.0
[M+CH3COO]- 375.06565 203.3
[M+Na-2H]- 337.02647 170.5
[M]+ 316.05125 168.7
[M]- 316.05235 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe