CID 5350201

(e)-3-(2,5-dimethoxyphenyl)-n-(oxolan-2-ylmethyl)prop-2-enamide

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]+ 292.15434 168.8
[M+Na]+ 314.13628 173.5
[M-H]- 290.13978 175.5
[M+NH4]+ 309.18088 184.2
[M+K]+ 330.11022 172.1
[M+H-H2O]+ 274.14432 161.4
[M+HCOO]- 336.14526 190.7
[M+CH3COO]- 350.16091 202.1
[M+Na-2H]- 312.12173 170.2
[M]+ 291.14651 170.7
[M]- 291.14761 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.