CID 5350201

301681-89-0

Structural Information

Molecular Formula
C16H21NO4
SMILES
COC1=CC(=C(C=C1)OC)/C=C/C(=O)NCC2CCCO2
InChI
InChI=1S/C16H21NO4/c1-19-13-6-7-15(20-2)12(10-13)5-8-16(18)17-11-14-4-3-9-21-14/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,17,18)/b8-5+
InChIKey
UEESXKNBZADVGW-VMPITWQZSA-N
Compound name
(E)-3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.14706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.154336 168.8
[M+Na]+ 314.136278 173.5
[M-H]- 290.139784 175.5
[M+NH4]+ 309.180883 184.2
[M+K]+ 330.110218 172.1
[M+H-H2O]+ 274.144320 161.4
[M+HCOO]- 336.145261 190.7
[M+CH3COO]- 350.160911 202.1
[M+Na-2H]- 312.121726 170.2
[M]+ 291.14651142 170.7
[M]- 291.14760858 170.7
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.