CID 7275242

853349-21-0

Structural Information

Molecular Formula
C15H14ClNO4
SMILES
COC1=CC(=C(C=C1NC(=O)/C=C/C2=CC=CO2)Cl)OC
InChI
InChI=1S/C15H14ClNO4/c1-19-13-9-14(20-2)12(8-11(13)16)17-15(18)6-5-10-4-3-7-21-10/h3-9H,1-2H3,(H,17,18)/b6-5+
InChIKey
LELPKOPZITUCLB-AATRIKPKSA-N
Compound name
(E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.06113 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06841 168.2
[M+Na]+ 330.05035 180.8
[M+NH4]+ 325.09495 175.0
[M+K]+ 346.02429 176.2
[M-H]- 306.05385 172.3
[M+Na-2H]- 328.03580 173.9
[M]+ 307.06058 171.3
[M]- 307.06168 171.3
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.