CID 45054879

1-(2-(2-methylbenzoyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C28H24N2O5
SMILES
CC1=CC=CC=C1C(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C28H24N2O5/c1-18-8-4-6-10-21(18)27(31)30-29-17-23-22-11-7-5-9-19(22)12-14-24(23)35-28(32)20-13-15-25(33-2)26(16-20)34-3/h4-17H,1-3H3,(H,30,31)/b29-17+
InChIKey
LMGWEAJHWMBKML-STBIYBPSSA-N
Compound name
[1-[(E)-[(2-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.16852 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.17580 214.4
[M+Na]+ 491.15774 219.7
[M-H]- 467.16124 225.8
[M+NH4]+ 486.20234 222.5
[M+K]+ 507.13168 216.0
[M+H-H2O]+ 451.16578 202.2
[M+HCOO]- 513.16672 237.3
[M+CH3COO]- 527.18237 243.9
[M+Na-2H]- 489.14319 216.2
[M]+ 468.16797 219.6
[M]- 468.16907 219.6
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.