CID 45055207

4-br-2-(2-(((1-br-2-naphthyl)oxy)acetyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C28H22Br2N2O5
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)COC3=C(C4=CC=CC=C4C=C3)Br
InChI
InChI=1S/C28H22Br2N2O5/c1-2-35-22-11-7-19(8-12-22)28(34)37-24-14-10-21(29)15-20(24)16-31-32-26(33)17-36-25-13-9-18-5-3-4-6-23(18)27(25)30/h3-16H,2,17H2,1H3,(H,32,33)/b31-16+
InChIKey
JDUHSWRELNDCMR-WCMJOSRZSA-N
Compound name
[4-bromo-2-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

623.98956 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.99684 217.0
[M+Na]+ 646.97878 221.6
[M-H]- 622.98228 227.9
[M+NH4]+ 642.02338 224.6
[M+K]+ 662.95272 208.0
[M+H-H2O]+ 606.98682 219.5
[M+HCOO]- 668.98776 231.0
[M+CH3COO]- 683.00341 253.9
[M+Na-2H]- 644.96423 218.5
[M]+ 623.98901 253.5
[M]- 623.99011 253.5
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.