CID 9633764

4-br-2-(2-((3-methoxyanilino)(oxo)ac)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C26H24BrN3O6
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C(=O)NC3=CC(=CC=C3)OC
InChI
InChI=1S/C26H24BrN3O6/c1-3-13-35-21-10-7-17(8-11-21)26(33)36-23-12-9-19(27)14-18(23)16-28-30-25(32)24(31)29-20-5-4-6-22(15-20)34-2/h4-12,14-16H,3,13H2,1-2H3,(H,29,31)(H,30,32)/b28-16+
InChIKey
YPALEUZPBBRLNJ-LQKURTRISA-N
Compound name
[4-bromo-2-[(E)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.08484 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.09212 220.2
[M+Na]+ 576.07406 224.8
[M-H]- 552.07756 231.8
[M+NH4]+ 571.11866 227.2
[M+K]+ 592.04800 214.7
[M+H-H2O]+ 536.08210 213.3
[M+HCOO]- 598.08304 241.5
[M+CH3COO]- 612.09869 250.7
[M+Na-2H]- 574.05951 220.9
[M]+ 553.08429 242.5
[M]- 553.08539 242.5
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.