CID 731509

N-(2,6-diethylphenyl)-3-phenylacrylamide

Structural Information

Molecular Formula
C19H21NO
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C19H21NO/c1-3-16-11-8-12-17(4-2)19(16)20-18(21)14-13-15-9-6-5-7-10-15/h5-14H,3-4H2,1-2H3,(H,20,21)/b14-13+
InChIKey
KYDATPHOLBOQGG-BUHFOSPRSA-N
Compound name
(E)-N-(2,6-diethylphenyl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.16232 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.169596 168.2
[M+Na]+ 302.151538 174.1
[M-H]- 278.155044 174.5
[M+NH4]+ 297.196143 183.9
[M+K]+ 318.125478 168.8
[M+H-H2O]+ 262.159580 160.1
[M+HCOO]- 324.160521 191.5
[M+CH3COO]- 338.176171 204.1
[M+Na-2H]- 300.136986 171.2
[M]+ 279.16177142 168.3
[M]- 279.16286858 168.3
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.