CID 9666410

1-(2-(2-methoxybenzoyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate

Structural Information

Molecular Formula
C27H22N2O4
SMILES
CC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=CC=CC=C4OC
InChI
InChI=1S/C27H22N2O4/c1-18-11-13-20(14-12-18)27(31)33-25-16-15-19-7-3-4-8-21(19)23(25)17-28-29-26(30)22-9-5-6-10-24(22)32-2/h3-17H,1-2H3,(H,29,30)/b28-17+
InChIKey
VASCSJCVYSLCIH-OGLMXYFKSA-N
Compound name
[1-[(E)-[(2-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
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 206.8
[M+Na]+ 461.14718 212.0
[M-H]- 437.15068 218.1
[M+NH4]+ 456.19178 216.1
[M+K]+ 477.12112 207.5
[M+H-H2O]+ 421.15522 194.9
[M+HCOO]- 483.15616 230.0
[M+CH3COO]- 497.17181 237.5
[M+Na-2H]- 459.13263 209.7
[M]+ 438.15741 209.9
[M]- 438.15851 209.9
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.