CID 9638975

4-(2-((2-nitrophenoxy)acetyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C24H21N3O7
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)COC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C24H21N3O7/c1-2-32-19-13-9-18(10-14-19)24(29)34-20-11-7-17(8-12-20)15-25-26-23(28)16-33-22-6-4-3-5-21(22)27(30)31/h3-15H,2,16H2,1H3,(H,26,28)/b25-15+
InChIKey
AHQHOVHOOJWWJS-MFKUBSTISA-N
Compound name
[4-[(E)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.13794 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.14522 208.2
[M+Na]+ 486.12716 209.7
[M-H]- 462.13066 218.2
[M+NH4]+ 481.17176 213.9
[M+K]+ 502.10110 203.6
[M+H-H2O]+ 446.13520 200.4
[M+HCOO]- 508.13614 233.7
[M+CH3COO]- 522.15179 232.6
[M+Na-2H]- 484.11261 212.4
[M]+ 463.13739 211.0
[M]- 463.13849 211.0
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.