CID 9633647

4-(2-((2-nitrophenoxy)acetyl)carbohydrazonoyl)phenyl 3-methylbenzoate

Structural Information

Molecular Formula
C23H19N3O6
SMILES
CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)COC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C23H19N3O6/c1-16-5-4-6-18(13-16)23(28)32-19-11-9-17(10-12-19)14-24-25-22(27)15-31-21-8-3-2-7-20(21)26(29)30/h2-14H,15H2,1H3,(H,25,27)/b24-14+
InChIKey
UMSSXAJMFNXKFL-ZVHZXABRSA-N
Compound name
[4-[(E)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.12738 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.13466 200.6
[M+Na]+ 456.11660 213.3
[M+NH4]+ 451.16120 205.4
[M+K]+ 472.09054 209.2
[M-H]- 432.12010 207.5
[M+Na-2H]- 454.10205 209.2
[M]+ 433.12683 204.0
[M]- 433.12793 204.0
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.