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 169.3
[M+Na]+ 330.05035 178.3
[M-H]- 306.05385 177.3
[M+NH4]+ 325.09495 185.5
[M+K]+ 346.02429 174.9
[M+H-H2O]+ 290.05839 163.0
[M+HCOO]- 352.05933 189.9
[M+CH3COO]- 366.07498 203.2
[M+Na-2H]- 328.03580 171.8
[M]+ 307.06058 176.3
[M]- 307.06168 176.3
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.