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 192.0
[M+Na]+ 382.00237 205.1
[M-H]- 358.00587 198.7
[M+NH4]+ 377.04697 206.3
[M+K]+ 397.97631 198.7
[M+H-H2O]+ 342.01041 179.1
[M+HCOO]- 404.01135 203.3
[M+CH3COO]- 418.02700 201.9
[M+Na-2H]- 379.98782 190.6
[M]+ 359.01260 194.9
[M]- 359.01370 194.9
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.