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]+ 308.200876 177.0
[M+Na]+ 330.182818 182.6
[M-H]- 306.186324 183.4
[M+NH4]+ 325.227423 191.8
[M+K]+ 346.156758 177.5
[M+H-H2O]+ 290.190860 168.8
[M+HCOO]- 352.191801 198.6
[M+CH3COO]- 366.207451 212.2
[M+Na-2H]- 328.168266 177.0
[M]+ 307.19305142 177.6
[M]- 307.19414858 177.6
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.