CID 9639695

2-meo-4-(2-(2-(4-nitrophenoxy)propanoyl)carbohydrazonoyl)phenyl 3-phenylacrylate

Structural Information

Molecular Formula
C26H23N3O7
SMILES
CC(C(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)/C=C/C2=CC=CC=C2)OC)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C26H23N3O7/c1-18(35-22-12-10-21(11-13-22)29(32)33)26(31)28-27-17-20-8-14-23(24(16-20)34-2)36-25(30)15-9-19-6-4-3-5-7-19/h3-18H,1-2H3,(H,28,31)/b15-9+,27-17+
InChIKey
NKNPESYXHGPPNC-LSVSHLMISA-N
Compound name
[2-methoxy-4-[(E)-[2-(4-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.1536 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.16088 216.4
[M+Na]+ 512.14282 217.1
[M-H]- 488.14632 226.1
[M+NH4]+ 507.18742 221.0
[M+K]+ 528.11676 210.7
[M+H-H2O]+ 472.15086 208.5
[M+HCOO]- 534.15180 240.4
[M+CH3COO]- 548.16745 237.6
[M+Na-2H]- 510.12827 218.5
[M]+ 489.15305 218.5
[M]- 489.15415 218.5
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.