CID 135483946

Nsc637443

Structural Information

Molecular Formula
C15H17N3O5
SMILES
CCOC(=O)C\1=C(OC/C1=N/NC(=O)C2=CC=CC=C2O)NC
InChI
InChI=1S/C15H17N3O5/c1-3-22-15(21)12-10(8-23-14(12)16-2)17-18-13(20)9-6-4-5-7-11(9)19/h4-7,16,19H,3,8H2,1-2H3,(H,18,20)/b17-10-
InChIKey
AEOCSCCUYYINLU-YVLHZVERSA-N
Compound name
ethyl (4E)-4-[(2-hydroxybenzoyl)hydrazinylidene]-2-(methylamino)furan-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.11682 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12410 172.7
[M+Na]+ 342.10604 177.6
[M-H]- 318.10954 180.3
[M+NH4]+ 337.15064 186.2
[M+K]+ 358.07998 177.1
[M+H-H2O]+ 302.11408 164.5
[M+HCOO]- 364.11502 197.6
[M+CH3COO]- 378.13067 212.5
[M+Na-2H]- 340.09149 174.7
[M]+ 319.11627 174.5
[M]- 319.11737 174.5
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.