CID 45055127

765311-58-8

Structural Information

Molecular Formula
C22H19N3O5
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CO3
InChI
InChI=1S/C22H19N3O5/c1-2-15-5-9-17(10-6-15)24-20(26)21(27)25-23-14-16-7-11-18(12-8-16)30-22(28)19-4-3-13-29-19/h3-14H,2H2,1H3,(H,24,26)(H,25,27)/b23-14+
InChIKey
GDDZNMJIMLJEQE-OEAKJJBVSA-N
Compound name
[4-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.13248 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13976 197.2
[M+Na]+ 428.12170 200.9
[M-H]- 404.12520 208.9
[M+NH4]+ 423.16630 207.1
[M+K]+ 444.09564 199.3
[M+H-H2O]+ 388.12974 187.0
[M+HCOO]- 450.13068 223.3
[M+CH3COO]- 464.14633 228.8
[M+Na-2H]- 426.10715 198.9
[M]+ 405.13193 200.3
[M]- 405.13303 200.3
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.