CID 45055139

4-(2-((4-bromophenoxy)acetyl)carbohydrazonoyl)-2-ethoxyphenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C25H23BrN2O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)Br)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C25H23BrN2O6/c1-3-32-23-14-17(15-27-28-24(29)16-33-21-11-7-19(26)8-12-21)4-13-22(23)34-25(30)18-5-9-20(31-2)10-6-18/h4-15H,3,16H2,1-2H3,(H,28,29)/b27-15+
InChIKey
ZXFJQSANQKVHOZ-JFLMPSFJSA-N
Compound name
[4-[(E)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.074 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.08128 214.3
[M+Na]+ 549.06322 220.4
[M-H]- 525.06672 226.2
[M+NH4]+ 544.10782 222.9
[M+K]+ 565.03716 210.4
[M+H-H2O]+ 509.07126 208.1
[M+HCOO]- 571.07220 235.8
[M+CH3COO]- 585.08785 243.9
[M+Na-2H]- 547.04867 216.0
[M]+ 526.07345 238.5
[M]- 526.07455 238.5
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.