CID 51060285

1-(2-(2-(2-naphthyloxy)propanoyl)carbohydrazonoyl)-2-naphthyl 4-chlorobenzoate

Structural Information

Molecular Formula
C31H23ClN2O4
SMILES
CC(C(=O)N/N=C/C1=C(C=CC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)Cl)OC4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C31H23ClN2O4/c1-20(37-26-16-12-21-6-2-3-8-24(21)18-26)30(35)34-33-19-28-27-9-5-4-7-22(27)13-17-29(28)38-31(36)23-10-14-25(32)15-11-23/h2-20H,1H3,(H,34,35)/b33-19+
InChIKey
WMVPIWQELPQCEK-HNSNBQBZSA-N
Compound name
[1-[(E)-(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.13464 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.14192 225.3
[M+Na]+ 545.12386 231.0
[M-H]- 521.12736 236.8
[M+NH4]+ 540.16846 232.6
[M+K]+ 561.09780 225.0
[M+H-H2O]+ 505.13190 213.2
[M+HCOO]- 567.13284 242.3
[M+CH3COO]- 581.14849 232.7
[M+Na-2H]- 543.10931 228.7
[M]+ 522.13409 231.9
[M]- 522.13519 231.9
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.