CID 5274902

N-(4-methoxyphenyl)-3-sulfanyl-pyridine-2-carboxamide

Structural Information

Molecular Formula
C13H12N2O2S
SMILES
COC1=CC=C(C=C1)NC(=O)C2=C(C=CC=N2)S
InChI
InChI=1S/C13H12N2O2S/c1-17-10-6-4-9(5-7-10)15-13(16)12-11(18)3-2-8-14-12/h2-8,18H,1H3,(H,15,16)
InChIKey
WXLRVVGNOXVPBL-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-3-sulfanylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.06195 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06923 156.1
[M+Na]+ 283.05117 164.3
[M-H]- 259.05467 162.0
[M+NH4]+ 278.09577 171.8
[M+K]+ 299.02511 160.3
[M+H-H2O]+ 243.05921 148.0
[M+HCOO]- 305.06015 175.0
[M+CH3COO]- 319.07580 195.9
[M+Na-2H]- 281.03662 159.8
[M]+ 260.06140 159.0
[M]- 260.06250 159.0
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.