CID 6050816

331461-99-5

Structural Information

Molecular Formula
C21H25NO
SMILES
CCC(C)C1=CC=C(C=C1)NC(=O)/C=C/C2=C(C=C(C=C2)C)C
InChI
InChI=1S/C21H25NO/c1-5-16(3)18-8-11-20(12-9-18)22-21(23)13-10-19-7-6-15(2)14-17(19)4/h6-14,16H,5H2,1-4H3,(H,22,23)/b13-10+
InChIKey
VLHJOJLAHIYPKK-JLHYYAGUSA-N
Compound name
(E)-N-(4-butan-2-ylphenyl)-3-(2,4-dimethylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 178.2
[M+Na]+ 330.18282 191.5
[M+NH4]+ 325.22742 185.8
[M+K]+ 346.15676 183.0
[M-H]- 306.18632 183.1
[M+Na-2H]- 328.16827 185.7
[M]+ 307.19305 181.5
[M]- 307.19415 181.5
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.