CID 6366180

N,n-diethyl-3-(4-methoxyphenyl)-2-butenamide

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCN(CC)C(=O)/C=C(\C)/C1=CC=C(C=C1)OC
InChI
InChI=1S/C15H21NO2/c1-5-16(6-2)15(17)11-12(3)13-7-9-14(18-4)10-8-13/h7-11H,5-6H2,1-4H3/b12-11+
InChIKey
TUIAWEVUTJCRGU-VAWYXSNFSA-N
Compound name
(E)-N,N-diethyl-3-(4-methoxyphenyl)but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 159.9
[M+Na]+ 270.14645 165.2
[M-H]- 246.14995 164.5
[M+NH4]+ 265.19105 177.7
[M+K]+ 286.12039 164.0
[M+H-H2O]+ 230.15449 152.9
[M+HCOO]- 292.15543 182.9
[M+CH3COO]- 306.17108 201.6
[M+Na-2H]- 268.13190 161.3
[M]+ 247.15668 163.0
[M]- 247.15778 163.0
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.