CID 51060580

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

Structural Information

Molecular Formula
C33H26N2O4
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N/N=C/C3=C(C=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5
InChI
InChI=1S/C33H26N2O4/c1-23-11-13-24(14-12-23)22-38-28-18-15-26(16-19-28)32(36)35-34-21-30-29-10-6-5-7-25(29)17-20-31(30)39-33(37)27-8-3-2-4-9-27/h2-21H,22H2,1H3,(H,35,36)/b34-21+
InChIKey
DISHFKMJJOYEGO-KEIPNQJHSA-N
Compound name
[1-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.1893 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.19658 229.3
[M+Na]+ 537.17852 245.8
[M+NH4]+ 532.22312 236.1
[M+K]+ 553.15246 234.7
[M-H]- 513.18202 239.6
[M+Na-2H]- 535.16397 241.3
[M]+ 514.18875 234.7
[M]- 514.18985 234.7
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.