CID 3039045

Brn 0440873

Structural Information

Molecular Formula
C20H16N2O3S
SMILES
C1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)C(NC(=O)C3=CN=CC=C3)O
InChI
InChI=1S/C20H16N2O3S/c23-18(20(25)22-19(24)15-5-4-12-21-13-15)14-8-10-17(11-9-14)26-16-6-2-1-3-7-16/h1-13,20,25H,(H,22,24)
InChIKey
FQKSZRIFSDTCHI-UHFFFAOYSA-N
Compound name
N-[1-hydroxy-2-oxo-2-(4-phenylsulfanylphenyl)ethyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.08817 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.09545 183.4
[M+Na]+ 387.07739 187.8
[M-H]- 363.08089 189.9
[M+NH4]+ 382.12199 192.7
[M+K]+ 403.05133 182.1
[M+H-H2O]+ 347.08543 173.7
[M+HCOO]- 409.08637 198.2
[M+CH3COO]- 423.10202 212.4
[M+Na-2H]- 385.06284 184.9
[M]+ 364.08762 183.3
[M]- 364.08872 183.3
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.