CID 45055314

4-br-2(2-(2-(2,4-dichlorophenoxy)propanoyl)carbohydrazonoyl)ph 4-propoxybenzoate

Structural Information

Molecular Formula
C26H23BrCl2N2O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C(C)OC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C26H23BrCl2N2O5/c1-3-12-34-21-8-4-17(5-9-21)26(33)36-23-10-6-19(27)13-18(23)15-30-31-25(32)16(2)35-24-11-7-20(28)14-22(24)29/h4-11,13-16H,3,12H2,1-2H3,(H,31,32)/b30-15+
InChIKey
XIMOJVAFYRKTTN-FJEPWZHXSA-N
Compound name
[4-bromo-2-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

592.0167 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.02398 224.4
[M+Na]+ 615.00592 232.9
[M-H]- 591.00942 236.1
[M+NH4]+ 610.05052 232.8
[M+K]+ 630.97986 220.0
[M+H-H2O]+ 575.01396 220.6
[M+HCOO]- 637.01490 236.0
[M+CH3COO]- 651.03055 252.6
[M+Na-2H]- 612.99137 223.4
[M]+ 592.01615 251.6
[M]- 592.01725 251.6
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.