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 173.8
[M+Na]+ 342.05035 181.5
[M-H]- 318.05385 181.4
[M+NH4]+ 337.09495 189.1
[M+K]+ 358.02429 177.8
[M+H-H2O]+ 302.05839 167.3
[M+HCOO]- 364.05933 193.3
[M+CH3COO]- 378.07498 204.4
[M+Na-2H]- 340.03580 175.2
[M]+ 319.06058 179.4
[M]- 319.06168 179.4
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.