CID 9651772

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

Structural Information

Molecular Formula
C25H21N3O7
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=CC=C2[N+](=O)[O-])OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C25H21N3O7/c1-33-23-15-19(11-13-22(23)35-25(30)14-12-18-7-3-2-4-8-18)16-26-27-24(29)17-34-21-10-6-5-9-20(21)28(31)32/h2-16H,17H2,1H3,(H,27,29)/b14-12+,26-16+
InChIKey
IHNVJSYRANVWGA-DLVCOAMMSA-N
Compound name
[2-methoxy-4-[(E)-[[2-(2-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 212.3
[M+Na]+ 498.12716 213.7
[M-H]- 474.13066 222.1
[M+NH4]+ 493.17176 217.5
[M+K]+ 514.10110 206.7
[M+H-H2O]+ 458.13520 204.3
[M+HCOO]- 520.13614 237.5
[M+CH3COO]- 534.15179 234.0
[M+Na-2H]- 496.11261 215.9
[M]+ 475.13739 214.6
[M]- 475.13849 214.6
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.