CID 6447927

2-cyano-3-(3-ethoxy-4-methoxy-5-((phenylthio)methyl)phenyl)-2-propenamide

Structural Information

Molecular Formula
C20H20N2O3S
SMILES
CCOC1=CC(=CC(=C1OC)CSC2=CC=CC=C2)/C=C(\C#N)/C(=O)N
InChI
InChI=1S/C20H20N2O3S/c1-3-25-18-11-14(9-15(12-21)20(22)23)10-16(19(18)24-2)13-26-17-7-5-4-6-8-17/h4-11H,3,13H2,1-2H3,(H2,22,23)/b15-9+
InChIKey
UBXCUZDUPXQSMQ-OQLLNIDSSA-N
Compound name
(E)-2-cyano-3-[3-ethoxy-4-methoxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.11948 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12676 182.8
[M+Na]+ 391.10870 193.4
[M+NH4]+ 386.15330 185.7
[M+K]+ 407.08264 182.3
[M-H]- 367.11220 178.8
[M+Na-2H]- 389.09415 185.9
[M]+ 368.11893 182.6
[M]- 368.12003 182.6
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.