CID 9607862

1-(2-((1-naphthylamino)(oxo)acetyl)carbohydrazonoyl)-2-naphthyl 2-chlorobenzoate

Structural Information

Molecular Formula
C30H20ClN3O4
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C(=O)N/N=C/C3=C(C=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5Cl
InChI
InChI=1S/C30H20ClN3O4/c31-25-14-6-5-13-23(25)30(37)38-27-17-16-20-9-1-3-11-21(20)24(27)18-32-34-29(36)28(35)33-26-15-7-10-19-8-2-4-12-22(19)26/h1-18H,(H,33,35)(H,34,36)/b32-18+
InChIKey
MRKLBIGULQBMAX-KCSSXMTESA-N
Compound name
[1-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.11426 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.12154 222.4
[M+Na]+ 544.10348 228.2
[M-H]- 520.10698 234.2
[M+NH4]+ 539.14808 229.5
[M+K]+ 560.07742 222.1
[M+H-H2O]+ 504.11152 210.7
[M+HCOO]- 566.11246 241.1
[M+CH3COO]- 580.12811 229.9
[M+Na-2H]- 542.08893 227.3
[M]+ 521.11371 227.5
[M]- 521.11481 227.5
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.