CID 9609645

2-(2-((1-naphthyloxy)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C26H19ClN2O4
SMILES
C1=CC=C2C(=C1)C=CC=C2OCC(=O)N/N=C/C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H19ClN2O4/c27-21-14-12-19(13-15-21)26(31)33-23-10-4-2-7-20(23)16-28-29-25(30)17-32-24-11-5-8-18-6-1-3-9-22(18)24/h1-16H,17H2,(H,29,30)/b28-16+
InChIKey
DPKSMKIUUVDIRJ-LQKURTRISA-N
Compound name
[2-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.10333 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.11061 208.4
[M+Na]+ 481.09255 214.1
[M-H]- 457.09605 219.3
[M+NH4]+ 476.13715 217.6
[M+K]+ 497.06649 208.2
[M+H-H2O]+ 441.10059 197.4
[M+HCOO]- 503.10153 227.6
[M+CH3COO]- 517.11718 236.6
[M+Na-2H]- 479.07800 212.2
[M]+ 458.10278 213.6
[M]- 458.10388 213.6
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.