CID 45054346

4-(2-(((1-br-2-naphthyl)oxy)ac)carbohydrazonoyl)-2-ethoxyphenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C28H22BrClN2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=C(C3=CC=CC=C3C=C2)Br)OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C28H22BrClN2O5/c1-2-35-25-15-18(7-13-23(25)37-28(34)20-8-11-21(30)12-9-20)16-31-32-26(33)17-36-24-14-10-19-5-3-4-6-22(19)27(24)29/h3-16H,2,17H2,1H3,(H,32,33)/b31-16+
InChIKey
NNYLMYKDFJDKBY-WCMJOSRZSA-N
Compound name
[4-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.04004 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.04732 227.9
[M+Na]+ 603.02926 235.7
[M-H]- 579.03276 240.5
[M+NH4]+ 598.07386 236.5
[M+K]+ 619.00320 223.6
[M+H-H2O]+ 563.03730 222.7
[M+HCOO]- 625.03824 243.7
[M+CH3COO]- 639.05389 252.2
[M+Na-2H]- 601.01471 229.9
[M]+ 580.03949 253.4
[M]- 580.04059 253.4
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.