CID 6447991

Brn 0021835

Structural Information

Molecular Formula

C₁₄H₁₅NO₃

SMILES

CN(C)C(=O)/C=C/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H15NO3/c1-15(2)14(16)6-4-3-5-11-7-8-12-13(9-11)18-10-17-12/h3-9H,10H2,1-2H3/b5-3+,6-4+

InChIKey

HIAJIHWXNBJYOF-GGWOSOGESA-N

Compound name

(2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 245.1052 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	246.11248	156.5
[M+Na]+	268.09442	166.9
[M+NH4]+	263.13902	163.7
[M+K]+	284.06836	163.4
[M-H]-	244.09792	160.5
[M+Na-2H]-	266.07987	159.3
[M]+	245.10465	158.9
[M]-	245.10575	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe