CID 51060727

1-(2-(4-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)-2-naphthyl benzoate

Structural Information

Molecular Formula
C32H23ClN2O4
SMILES
C1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl
InChI
InChI=1S/C32H23ClN2O4/c33-26-15-10-22(11-16-26)21-38-27-17-12-24(13-18-27)31(36)35-34-20-29-28-9-5-4-6-23(28)14-19-30(29)39-32(37)25-7-2-1-3-8-25/h1-20H,21H2,(H,35,36)/b34-20+
InChIKey
HETBRYMWCWIBAY-QXUDOOCXSA-N
Compound name
[1-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.13464 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.14192 230.0
[M+Na]+ 557.12386 234.7
[M-H]- 533.12736 243.1
[M+NH4]+ 552.16846 235.4
[M+K]+ 573.09780 228.0
[M+H-H2O]+ 517.13190 216.8
[M+HCOO]- 579.13284 247.7
[M+CH3COO]- 593.14849 236.8
[M+Na-2H]- 555.10931 232.2
[M]+ 534.13409 234.6
[M]- 534.13519 234.6
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.