CID 9657611

4-(2-((2-nitrophenoxy)acetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C22H15Cl2N3O6
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C22H15Cl2N3O6/c23-15-7-10-17(18(24)11-15)22(29)33-16-8-5-14(6-9-16)12-25-26-21(28)13-32-20-4-2-1-3-19(20)27(30)31/h1-12H,13H2,(H,26,28)/b25-12+
InChIKey
BZUJADWLCZXLSN-BRJLIKDPSA-N
Compound name
[4-[(E)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.03378 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.04106 211.6
[M+Na]+ 510.02300 215.9
[M-H]- 486.02650 221.1
[M+NH4]+ 505.06760 218.4
[M+K]+ 525.99694 207.4
[M+H-H2O]+ 470.03104 206.6
[M+HCOO]- 532.03198 228.2
[M+CH3COO]- 546.04763 232.9
[M+Na-2H]- 508.00845 214.3
[M]+ 487.03323 217.4
[M]- 487.03433 217.4
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.