CID 9631800

769151-63-5

Structural Information

Molecular Formula
C23H15Cl4N3O4
SMILES
C1=CC(=CC=C1/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H15Cl4N3O4/c24-15-4-7-17(19(26)10-15)23(33)34-16-5-1-13(2-6-16)11-29-30-21(31)12-28-22(32)14-3-8-18(25)20(27)9-14/h1-11H,12H2,(H,28,32)(H,30,31)/b29-11+
InChIKey
KUZZJCFERSZXJH-VPUKRXIYSA-N
Compound name
[4-[(E)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.9817 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.98898 217.6
[M+Na]+ 559.97092 224.6
[M-H]- 535.97442 225.0
[M+NH4]+ 555.01552 224.4
[M+K]+ 575.94486 218.7
[M+H-H2O]+ 519.97896 210.5
[M+HCOO]- 581.97990 223.0
[M+CH3COO]- 595.99555 247.9
[M+Na-2H]- 557.95637 215.2
[M]+ 536.98115 224.5
[M]- 536.98225 224.5
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.