CID 9632449

1-(2-(3-methylbenzoyl)carbohydrazonoyl)-2-naphthyl 4-methoxybenzoate

Structural Information

Molecular Formula
C27H22N2O4
SMILES
CC1=CC(=CC=C1)C(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C27H22N2O4/c1-18-6-5-8-21(16-18)26(30)29-28-17-24-23-9-4-3-7-19(23)12-15-25(24)33-27(31)20-10-13-22(32-2)14-11-20/h3-17H,1-2H3,(H,29,30)/b28-17+
InChIKey
JPFOWLJMWJPEDZ-OGLMXYFKSA-N
Compound name
[1-[(E)-[(3-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.15796 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.16524 207.2
[M+Na]+ 461.14718 222.3
[M+NH4]+ 456.19178 214.0
[M+K]+ 477.12112 213.1
[M-H]- 437.15068 215.0
[M+Na-2H]- 459.13263 217.2
[M]+ 438.15741 211.6
[M]- 438.15851 211.6
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.