CID 3009200

N-phenoxathiin-2-ylpyridine-4-carboxamide

Structural Information

Molecular Formula
C18H12N2O2S
SMILES
C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)NC(=O)C4=CC=NC=C4
InChI
InChI=1S/C18H12N2O2S/c21-18(12-7-9-19-10-8-12)20-13-5-6-15-17(11-13)23-16-4-2-1-3-14(16)22-15/h1-11H,(H,20,21)
InChIKey
ZADAKIBKFZRMCJ-UHFFFAOYSA-N
Compound name
N-phenoxathiin-2-ylpyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.06195 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06923 167.9
[M+Na]+ 343.05117 176.0
[M-H]- 319.05467 175.4
[M+NH4]+ 338.09577 181.4
[M+K]+ 359.02511 171.4
[M+H-H2O]+ 303.05921 159.2
[M+HCOO]- 365.06015 182.7
[M+CH3COO]- 379.07580 178.8
[M+Na-2H]- 341.03662 175.9
[M]+ 320.06140 169.4
[M]- 320.06250 169.4
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.