CID 51060308

4-(2-(((1-br-2-naphthyl)oxy)acetyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C28H23BrN2O6
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)COC3=C(C4=CC=CC=C4C=C3)Br)OC
InChI
InChI=1S/C28H23BrN2O6/c1-34-23-13-10-20(15-25(23)35-2)28(33)37-21-11-7-18(8-12-21)16-30-31-26(32)17-36-24-14-9-19-5-3-4-6-22(19)27(24)29/h3-16H,17H2,1-2H3,(H,31,32)/b30-16+
InChIKey
JHDNHECNEJBNIY-OKCVXOCRSA-N
Compound name
[4-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.074 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.08128 224.9
[M+Na]+ 585.06322 231.1
[M-H]- 561.06672 237.4
[M+NH4]+ 580.10782 232.8
[M+K]+ 601.03716 221.3
[M+H-H2O]+ 545.07126 218.4
[M+HCOO]- 607.07220 244.7
[M+CH3COO]- 621.08785 251.2
[M+Na-2H]- 583.04867 227.2
[M]+ 562.07345 248.8
[M]- 562.07455 248.8
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.