CID 6447932

2-propenamide, 2-cyano-3-(3-(((4-(1,1-dimethylethyl)phenyl)thio)methyl)-5-ethoxy-4-hydroxyphenyl)-

Structural Information

Molecular Formula
C23H26N2O3S
SMILES
CCOC1=CC(=CC(=C1O)CSC2=CC=C(C=C2)C(C)(C)C)/C=C(\C#N)/C(=O)N
InChI
InChI=1S/C23H26N2O3S/c1-5-28-20-12-15(10-16(13-24)22(25)27)11-17(21(20)26)14-29-19-8-6-18(7-9-19)23(2,3)4/h6-12,26H,5,14H2,1-4H3,(H2,25,27)/b16-10+
InChIKey
QTZMWJRMVMDXRJ-MHWRWJLKSA-N
Compound name
(E)-3-[3-[(4-tert-butylphenyl)sulfanylmethyl]-5-ethoxy-4-hydroxyphenyl]-2-cyanoprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.1664 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.17368 194.6
[M+Na]+ 433.15562 204.2
[M+NH4]+ 428.20022 196.6
[M+K]+ 449.12956 194.1
[M-H]- 409.15912 189.6
[M+Na-2H]- 431.14107 196.4
[M]+ 410.16585 194.1
[M]- 410.16695 194.1
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.