CID 6447925

3-(3-(((3-chlorophenyl)thio)methyl)-5-ethoxy-4-hydroxyphenyl)-2-cyano-2-propenamide

Structural Information

Molecular Formula
C19H17ClN2O3S
SMILES
CCOC1=CC(=CC(=C1O)CSC2=CC(=CC=C2)Cl)/C=C(\C#N)/C(=O)N
InChI
InChI=1S/C19H17ClN2O3S/c1-2-25-17-8-12(6-13(10-21)19(22)24)7-14(18(17)23)11-26-16-5-3-4-15(20)9-16/h3-9,23H,2,11H2,1H3,(H2,22,24)/b13-6+
InChIKey
UHVHGUWULJTUBQ-AWNIVKPZSA-N
Compound name
(E)-3-[3-[(3-chlorophenyl)sulfanylmethyl]-5-ethoxy-4-hydroxyphenyl]-2-cyanoprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.06485 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.07213 183.2
[M+Na]+ 411.05407 194.6
[M+NH4]+ 406.09867 186.3
[M+K]+ 427.02801 183.4
[M-H]- 387.05757 179.0
[M+Na-2H]- 409.03952 186.0
[M]+ 388.06430 183.4
[M]- 388.06540 183.4
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.