CID 19660260

881470-34-4

Structural Information

Molecular Formula
C21H17N3O5
SMILES
CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CO3
InChI
InChI=1S/C21H17N3O5/c1-14-4-8-16(9-5-14)23-19(25)20(26)24-22-13-15-6-10-17(11-7-15)29-21(27)18-3-2-12-28-18/h2-13H,1H3,(H,23,25)(H,24,26)/b22-13+
InChIKey
PQVGZOOHZRHOJA-LPYMAVHISA-N
Compound name
[4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.11682 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.12410 193.5
[M+Na]+ 414.10604 203.3
[M+NH4]+ 409.15064 198.0
[M+K]+ 430.07998 200.1
[M-H]- 390.10954 199.7
[M+Na-2H]- 412.09149 200.4
[M]+ 391.11627 196.1
[M]- 391.11737 196.1
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.