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]+ 355.12886 181.9
[M+Na]+ 377.11080 188.9
[M-H]- 353.11430 190.4
[M+NH4]+ 372.15540 195.1
[M+K]+ 393.08474 187.1
[M+H-H2O]+ 337.11884 173.5
[M+HCOO]- 399.11978 206.2
[M+CH3COO]- 413.13543 217.0
[M+Na-2H]- 375.09625 185.1
[M]+ 354.12103 187.3
[M]- 354.12213 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.