CID 9627084

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

Structural Information

Molecular Formula
C28H24N2O5
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)CC4=CC=CC=C4)OC
InChI
InChI=1S/C28H24N2O5/c1-33-25-15-13-21(17-26(25)34-2)28(32)35-24-14-12-20-10-6-7-11-22(20)23(24)18-29-30-27(31)16-19-8-4-3-5-9-19/h3-15,17-18H,16H2,1-2H3,(H,30,31)/b29-18+
InChIKey
NTQPOOOLBGWMEO-RDRPBHBLSA-N
Compound name
[1-[(E)-[(2-phenylacetyl)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

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.17580 213.7
[M+Na]+ 491.15774 218.1
[M-H]- 467.16124 224.7
[M+NH4]+ 486.20234 221.6
[M+K]+ 507.13168 214.3
[M+H-H2O]+ 451.16578 201.4
[M+HCOO]- 513.16672 236.7
[M+CH3COO]- 527.18237 242.5
[M+Na-2H]- 489.14319 216.3
[M]+ 468.16797 218.5
[M]- 468.16907 218.5
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.