CID 9658855

2-methoxy-4-(2-((4-nitrophenoxy)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C23H19N3O7
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H19N3O7/c1-31-21-13-16(7-12-20(21)33-23(28)17-5-3-2-4-6-17)14-24-25-22(27)15-32-19-10-8-18(9-11-19)26(29)30/h2-14H,15H2,1H3,(H,25,27)/b24-14+
InChIKey
AVJALOABGQXTPP-ZVHZXABRSA-N
Compound name
[2-methoxy-4-[(E)-[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.1223 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.12958 203.7
[M+Na]+ 472.11152 205.6
[M-H]- 448.11502 213.8
[M+NH4]+ 467.15612 209.9
[M+K]+ 488.08546 199.6
[M+H-H2O]+ 432.11956 196.0
[M+HCOO]- 494.12050 229.5
[M+CH3COO]- 508.13615 229.7
[M+Na-2H]- 470.09697 208.3
[M]+ 449.12175 206.1
[M]- 449.12285 206.1
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.