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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 157.6
[M+Na]+ 268.09442 164.3
[M-H]- 244.09792 164.4
[M+NH4]+ 263.13902 175.5
[M+K]+ 284.06836 164.0
[M+H-H2O]+ 228.10246 151.5
[M+HCOO]- 290.10340 179.5
[M+CH3COO]- 304.11905 196.3
[M+Na-2H]- 266.07987 162.2
[M]+ 245.10465 160.8
[M]- 245.10575 160.8
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