CID 51060558

4-(2-((1-naphthylamino)(oxo)acetyl)carbohydrazonoyl)phenyl 2-furoate

Structural Information

Molecular Formula
C24H17N3O5
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC=CO4
InChI
InChI=1S/C24H17N3O5/c28-22(26-20-8-3-6-17-5-1-2-7-19(17)20)23(29)27-25-15-16-10-12-18(13-11-16)32-24(30)21-9-4-14-31-21/h1-15H,(H,26,28)(H,27,29)/b25-15+
InChIKey
LPOBREBKQNODHI-MFKUBSTISA-N
Compound name
[4-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.11682 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.12410 199.7
[M+Na]+ 450.10604 204.6
[M-H]- 426.10954 212.5
[M+NH4]+ 445.15064 209.4
[M+K]+ 466.07998 202.4
[M+H-H2O]+ 410.11408 189.4
[M+HCOO]- 472.11502 225.9
[M+CH3COO]- 486.13067 232.4
[M+Na-2H]- 448.09149 204.4
[M]+ 427.11627 203.6
[M]- 427.11737 203.6
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.