CID 173628

3-methyl-4-phenyl-3-butenoic acid diethylamide

Structural Information

Molecular Formula
C15H21NO
SMILES
CCN(CC)C(=O)CC(=CC1=CC=CC=C1)C
InChI
InChI=1S/C15H21NO/c1-4-16(5-2)15(17)12-13(3)11-14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3
InChIKey
VSHBKFZWSYFCND-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-methyl-4-phenylbut-3-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

231.16231 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 157.6
[M+Na]+ 254.151528 162.0
[M-H]- 230.155034 161.8
[M+NH4]+ 249.196133 175.8
[M+K]+ 270.125468 160.2
[M+H-H2O]+ 214.159570 150.5
[M+HCOO]- 276.160511 180.4
[M+CH3COO]- 290.176161 198.4
[M+Na-2H]- 252.136976 159.6
[M]+ 231.16176142 158.8
[M]- 231.16285858 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe