CID 5274017

Akos000190897

Structural Information

Molecular Formula
C14H12N2O2S
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=S)N)O
InChI
InChI=1S/C14H12N2O2S/c15-13(19)9-5-7-10(8-6-9)16-14(18)11-3-1-2-4-12(11)17/h1-8,17H,(H2,15,19)(H,16,18)
InChIKey
NKCCEZALABEDOG-UHFFFAOYSA-N
Compound name
N-(4-carbamothioylphenyl)-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.06195 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06923 160.0
[M+Na]+ 295.05117 166.3
[M-H]- 271.05467 165.0
[M+NH4]+ 290.09577 174.9
[M+K]+ 311.02511 160.9
[M+H-H2O]+ 255.05921 152.6
[M+HCOO]- 317.06015 177.7
[M+CH3COO]- 331.07580 198.6
[M+Na-2H]- 293.03662 161.2
[M]+ 272.06140 157.9
[M]- 272.06250 157.9
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

No patent data available for this compound.