CID 9636687

3-(2-(2-(2-nitrophenoxy)propanoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C24H21N3O7
SMILES
CC(C(=O)N/N=C/C1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)OC)OC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C24H21N3O7/c1-16(33-22-9-4-3-8-21(22)27(30)31)23(28)26-25-15-17-6-5-7-20(14-17)34-24(29)18-10-12-19(32-2)13-11-18/h3-16H,1-2H3,(H,26,28)/b25-15+
InChIKey
VUYVWLKFARGQMT-MFKUBSTISA-N
Compound name
[3-[(E)-[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.13794 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.14522 207.8
[M+Na]+ 486.12716 209.1
[M-H]- 462.13066 217.9
[M+NH4]+ 481.17176 213.5
[M+K]+ 502.10110 203.6
[M+H-H2O]+ 446.13520 200.3
[M+HCOO]- 508.13614 232.3
[M+CH3COO]- 522.15179 233.3
[M+Na-2H]- 484.11261 211.0
[M]+ 463.13739 210.1
[M]- 463.13849 210.1
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.