CID 45051481

2-cyano-n-(5-methoxy-1,3-benzothiazol-2-yl)-3-(2-pyridinyl)-2-propenamide

Structural Information

Molecular Formula
C17H12N4O2S
SMILES
COC1=CC2=C(C=C1)SC(=N2)NC(=O)/C(=C/C3=CC=CC=N3)/C#N
InChI
InChI=1S/C17H12N4O2S/c1-23-13-5-6-15-14(9-13)20-17(24-15)21-16(22)11(10-18)8-12-4-2-3-7-19-12/h2-9H,1H3,(H,20,21,22)/b11-8+
InChIKey
IOWBNDAJMDRGPS-DHZHZOJOSA-N
Compound name
(E)-2-cyano-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.06808 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07536 175.1
[M+Na]+ 359.05730 187.2
[M+NH4]+ 354.10190 178.6
[M+K]+ 375.03124 177.3
[M-H]- 335.06080 170.6
[M+Na-2H]- 357.04275 179.3
[M]+ 336.06753 175.0
[M]- 336.06863 175.0
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.