CID 9678344

2-methoxy-4-(2-((4-nitrophenoxy)acetyl)carbohydrazonoyl)phenyl 3-phenylacrylate

Structural Information

Molecular Formula
C25H21N3O7
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C25H21N3O7/c1-33-23-15-19(7-13-22(23)35-25(30)14-8-18-5-3-2-4-6-18)16-26-27-24(29)17-34-21-11-9-20(10-12-21)28(31)32/h2-16H,17H2,1H3,(H,27,29)/b14-8+,26-16+
InChIKey
GUJPALCPQBBMDP-JQUAZWMLSA-N
Compound name
[2-methoxy-4-[(E)-[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.13794 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.14522 210.7
[M+Na]+ 498.12716 222.6
[M+NH4]+ 493.17176 214.3
[M+K]+ 514.10110 218.5
[M-H]- 474.13066 216.9
[M+Na-2H]- 496.11261 218.3
[M]+ 475.13739 213.6
[M]- 475.13849 213.6
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.