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]+ 352.190716 186.6
[M+Na]+ 374.172658 191.4
[M-H]- 350.176164 192.8
[M+NH4]+ 369.217263 199.2
[M+K]+ 390.146598 187.3
[M+H-H2O]+ 334.180700 178.3
[M+HCOO]- 396.181641 207.0
[M+CH3COO]- 410.197291 217.0
[M+Na-2H]- 372.158106 188.0
[M]+ 351.18289142 188.8
[M]- 351.18398858 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.