CID 670881

P-phenylthioureidosalicylic acid

Structural Information

Molecular Formula
C14H12N2O3S
SMILES
C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)C(=O)O)O
InChI
InChI=1S/C14H12N2O3S/c17-12-8-10(6-7-11(12)13(18)19)16-14(20)15-9-4-2-1-3-5-9/h1-8,17H,(H,18,19)(H2,15,16,20)
InChIKey
QIYIZFXGUVHGKZ-UHFFFAOYSA-N
Compound name
2-hydroxy-4-(phenylcarbamothioylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

288.05685 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06413 163.2
[M+Na]+ 311.04607 173.5
[M+NH4]+ 306.09067 169.8
[M+K]+ 327.02001 166.7
[M-H]- 287.04957 166.5
[M+Na-2H]- 309.03152 169.8
[M]+ 288.05630 165.7
[M]- 288.05740 165.7
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

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