CID 6447111

71256-99-0

Structural Information

Molecular Formula
C16H19NO3
SMILES
CCN(CC)C(=O)/C=C/C=C/C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C16H19NO3/c1-3-17(4-2)16(18)8-6-5-7-13-9-10-14-15(11-13)20-12-19-14/h5-11H,3-4,12H2,1-2H3/b7-5+,8-6+
InChIKey
HERKSPCMCQYVSE-KQQUZDAGSA-N
Compound name
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

273.1365 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.143776 167.3
[M+Na]+ 296.125718 173.1
[M-H]- 272.129224 173.6
[M+NH4]+ 291.170323 184.0
[M+K]+ 312.099658 172.3
[M+H-H2O]+ 256.133760 160.8
[M+HCOO]- 318.134701 188.5
[M+CH3COO]- 332.150351 202.3
[M+Na-2H]- 294.111166 170.7
[M]+ 273.13595142 171.1
[M]- 273.13704858 171.1
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