CID 6019673

331461-85-9

Structural Information

Molecular Formula
C22H25NO3
SMILES
CCOC1=CC=C(C=C1)C(=O)/C=C/C(=O)NC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C22H25NO3/c1-5-26-19-12-6-16(7-13-19)20(24)14-15-21(25)23-18-10-8-17(9-11-18)22(2,3)4/h6-15H,5H2,1-4H3,(H,23,25)/b15-14+
InChIKey
CFFXAVGODUPQPF-CCEZHUSRSA-N
Compound name
(E)-N-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-4-oxobut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.18344 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19072 187.0
[M+Na]+ 374.17266 198.5
[M+NH4]+ 369.21726 192.8
[M+K]+ 390.14660 191.9
[M-H]- 350.17616 189.9
[M+Na-2H]- 372.15811 193.5
[M]+ 351.18289 189.3
[M]- 351.18399 189.3
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.