CID 9637718

2-ethoxy-4-(2-(2-(4-nitrophenoxy)propanoyl)carbohydrazonoyl)ph 4-chlorobenzoate

Structural Information

Molecular Formula
C25H22ClN3O7
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C)OC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C25H22ClN3O7/c1-3-34-23-14-17(4-13-22(23)36-25(31)18-5-7-19(26)8-6-18)15-27-28-24(30)16(2)35-21-11-9-20(10-12-21)29(32)33/h4-16H,3H2,1-2H3,(H,28,30)/b27-15+
InChIKey
VJAIDYXRKXAMBP-JFLMPSFJSA-N
Compound name
[2-ethoxy-4-[(E)-[2-(4-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.11462 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.12190 220.0
[M+Na]+ 534.10384 222.2
[M-H]- 510.10734 229.9
[M+NH4]+ 529.14844 224.9
[M+K]+ 550.07778 215.4
[M+H-H2O]+ 494.11188 213.5
[M+HCOO]- 556.11282 239.8
[M+CH3COO]- 570.12847 240.8
[M+Na-2H]- 532.08929 221.4
[M]+ 511.11407 225.8
[M]- 511.11517 225.8
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.