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 170.1
[M+Na]+ 318.11007 177.7
[M-H]- 294.11357 179.2
[M+NH4]+ 313.15467 185.4
[M+K]+ 334.08401 175.4
[M+H-H2O]+ 278.11811 163.1
[M+HCOO]- 340.11905 191.4
[M+CH3COO]- 354.13470 204.8
[M+Na-2H]- 316.09552 174.0
[M]+ 295.12030 172.5
[M]- 295.12140 172.5
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.