CID 45054700

4-br-2-(2-(((1-br-2-naphthyl)oxy)ac)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C29H24Br2N2O5
SMILES
CCCOC1=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/C29H24Br2N2O5/c1-2-15-36-23-11-7-20(8-12-23)29(35)38-25-14-10-22(30)16-21(25)17-32-33-27(34)18-37-26-13-9-19-5-3-4-6-24(19)28(26)31/h3-14,16-17H,2,15,18H2,1H3,(H,33,34)/b32-17+
InChIKey
HMXHGWZRLKMBDN-VTNSRFBWSA-N
Compound name
[4-bromo-2-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

638.0052 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.01248 220.9
[M+Na]+ 660.99442 225.1
[M-H]- 636.99792 231.6
[M+NH4]+ 656.03902 228.0
[M+K]+ 676.96836 211.3
[M+H-H2O]+ 621.00246 223.1
[M+HCOO]- 683.00340 234.5
[M+CH3COO]- 697.01905 256.0
[M+Na-2H]- 658.97987 221.9
[M]+ 638.00465 257.5
[M]- 638.00575 257.5
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.