CID 2891665

314745-56-7

Structural Information

Molecular Formula
C19H18N2O5
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(=O)NN)C3=CC=CC=C3
InChI
InChI=1S/C19H18N2O5/c1-2-24-19(23)17-14-10-13(25-11-16(22)21-20)8-9-15(14)26-18(17)12-6-4-3-5-7-12/h3-10H,2,11,20H2,1H3,(H,21,22)
InChIKey
KIWCXSRCAQBJBB-UHFFFAOYSA-N
Compound name
ethyl 5-(2-hydrazinyl-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

354.12158 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.128856 181.9
[M+Na]+ 377.110798 188.9
[M-H]- 353.114304 190.4
[M+NH4]+ 372.155403 195.1
[M+K]+ 393.084738 187.1
[M+H-H2O]+ 337.118840 173.5
[M+HCOO]- 399.119781 206.2
[M+CH3COO]- 413.135431 217.0
[M+Na-2H]- 375.096246 185.1
[M]+ 354.12103142 187.3
[M]- 354.12212858 187.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.