CID 6104700

Nsc677579

Structural Information

Molecular Formula
C20H20N2O6
SMILES
COC1=CC(=CC2=C1OC(C2C(=O)N)C3=CC(=C(C=C3)O)OC)/C=C/C(=O)N
InChI
InChI=1S/C20H20N2O6/c1-26-14-9-11(4-5-13(14)23)18-17(20(22)25)12-7-10(3-6-16(21)24)8-15(27-2)19(12)28-18/h3-9,17-18,23H,1-2H3,(H2,21,24)(H2,22,25)/b6-3+
InChIKey
TXQMSHZUBJRWGV-ZZXKWVIFSA-N
Compound name
5-[(E)-3-amino-3-oxoprop-1-enyl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.13214 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13942 190.3
[M+Na]+ 407.12136 197.0
[M-H]- 383.12486 197.0
[M+NH4]+ 402.16596 201.7
[M+K]+ 423.09530 194.7
[M+H-H2O]+ 367.12940 182.8
[M+HCOO]- 429.13034 209.5
[M+CH3COO]- 443.14599 224.7
[M+Na-2H]- 405.10681 188.1
[M]+ 384.13159 192.6
[M]- 384.13269 192.6
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.