CID 45051460

853356-06-6

Structural Information

Molecular Formula
C16H14ClNO4
SMILES
COC(=O)CNC(=O)/C=C/C1=CC=C(O1)C2=CC=CC=C2Cl
InChI
InChI=1S/C16H14ClNO4/c1-21-16(20)10-18-15(19)9-7-11-6-8-14(22-11)12-4-2-3-5-13(12)17/h2-9H,10H2,1H3,(H,18,19)/b9-7+
InChIKey
JGKWKBCPSPUVSF-VQHVLOKHSA-N
Compound name
methyl 2-[[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.06113 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06841 172.2
[M+Na]+ 342.05035 183.8
[M+NH4]+ 337.09495 178.4
[M+K]+ 358.02429 179.6
[M-H]- 318.05385 175.7
[M+Na-2H]- 340.03580 177.3
[M]+ 319.06058 174.8
[M]- 319.06168 174.8
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.