CID 9639240

2-ethoxy-4-(2-((2-nitrophenoxy)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C24H20ClN3O7
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H20ClN3O7/c1-2-33-22-13-16(7-12-21(22)35-24(30)17-8-10-18(25)11-9-17)14-26-27-23(29)15-34-20-6-4-3-5-19(20)28(31)32/h3-14H,2,15H2,1H3,(H,27,29)/b26-14+
InChIKey
JHRBFDBWMMVWSK-VULFUBBASA-N
Compound name
[2-ethoxy-4-[(E)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.09897 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.10625 216.3
[M+Na]+ 520.08819 219.2
[M-H]- 496.09169 226.3
[M+NH4]+ 515.13279 221.8
[M+K]+ 536.06213 211.9
[M+H-H2O]+ 480.09623 209.6
[M+HCOO]- 542.09717 237.3
[M+CH3COO]- 556.11282 237.2
[M+Na-2H]- 518.07364 219.2
[M]+ 497.09842 222.2
[M]- 497.09952 222.2
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.