CID 45051480

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

Structural Information

Molecular Formula
C16H10ClN3O3S
SMILES
COC1=CC2=C(C=C1)SC(=N2)NC(=O)/C(=C/C3=CC=C(O3)Cl)/C#N
InChI
InChI=1S/C16H10ClN3O3S/c1-22-10-2-4-13-12(7-10)19-16(24-13)20-15(21)9(8-18)6-11-3-5-14(17)23-11/h2-7H,1H3,(H,19,20,21)/b9-6+
InChIKey
OCTVBLIVHDNDSR-RMKNXTFCSA-N
Compound name
(E)-3-(5-chlorofuran-2-yl)-2-cyano-N-(5-methoxy-1,3-benzothiazol-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.01315 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.02043 176.6
[M+Na]+ 382.00237 188.3
[M+NH4]+ 377.04697 180.4
[M+K]+ 397.97631 180.6
[M-H]- 358.00587 172.9
[M+Na-2H]- 379.98782 178.9
[M]+ 359.01260 177.0
[M]- 359.01370 177.0
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.