CID 6104813

331462-06-7

Structural Information

Molecular Formula
C18H17NO3
SMILES
CC1=CC(=C(C=C1)/C=C/C(=O)NC2=CC3=C(C=C2)OCO3)C
InChI
InChI=1S/C18H17NO3/c1-12-3-4-14(13(2)9-12)5-8-18(20)19-15-6-7-16-17(10-15)22-11-21-16/h3-10H,11H2,1-2H3,(H,19,20)/b8-5+
InChIKey
IUEHZBNNNDWSIJ-VMPITWQZSA-N
Compound name
(E)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12085 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 169.2
[M+Na]+ 318.11007 182.3
[M+NH4]+ 313.15467 177.0
[M+K]+ 334.08401 177.4
[M-H]- 294.11357 176.1
[M+Na-2H]- 316.09552 174.5
[M]+ 295.12030 173.0
[M]- 295.12140 173.0
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.