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 186.6
[M+Na]+ 374.17266 191.4
[M-H]- 350.17616 192.8
[M+NH4]+ 369.21726 199.2
[M+K]+ 390.14660 187.3
[M+H-H2O]+ 334.18070 178.3
[M+HCOO]- 396.18164 207.0
[M+CH3COO]- 410.19729 217.0
[M+Na-2H]- 372.15811 188.0
[M]+ 351.18289 188.8
[M]- 351.18399 188.8
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.