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]+ 523.141916 225.3
[M+Na]+ 545.123858 231.0
[M-H]- 521.127364 236.8
[M+NH4]+ 540.168463 232.6
[M+K]+ 561.097798 225.0
[M+H-H2O]+ 505.131900 213.2
[M+HCOO]- 567.132841 242.3
[M+CH3COO]- 581.148491 232.7
[M+Na-2H]- 543.109306 228.7
[M]+ 522.13409142 231.9
[M]- 522.13518858 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.