CID 9633842

4-br-2-(2-(((3,4-dichlorobenzoyl)amino)ac)carbohydrazonoyl)ph 4-propoxybenzoate

Structural Information

Molecular Formula
C26H22BrCl2N3O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)CNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C26H22BrCl2N3O5/c1-2-11-36-20-7-3-16(4-8-20)26(35)37-23-10-6-19(27)12-18(23)14-31-32-24(33)15-30-25(34)17-5-9-21(28)22(29)13-17/h3-10,12-14H,2,11,15H2,1H3,(H,30,34)(H,32,33)/b31-14+
InChIKey
BXQPCRPDZVPKBV-XAZZYMPDSA-N
Compound name
[4-bromo-2-[(E)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

605.01196 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 606.01924 227.0
[M+Na]+ 628.00118 234.8
[M-H]- 604.00468 238.6
[M+NH4]+ 623.04578 234.5
[M+K]+ 643.97512 221.3
[M+H-H2O]+ 588.00922 222.6
[M+HCOO]- 650.01016 239.7
[M+CH3COO]- 664.02581 256.4
[M+Na-2H]- 625.98663 226.5
[M]+ 605.01141 252.8
[M]- 605.01251 252.8
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.