CID 9639571

2-ethoxy-4-(2-(2-methoxybenzoyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C26H26N2O6
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3OC)OCC
InChI
InChI=1S/C26H26N2O6/c1-4-32-20-13-11-19(12-14-20)26(30)34-23-15-10-18(16-24(23)33-5-2)17-27-28-25(29)21-8-6-7-9-22(21)31-3/h6-17H,4-5H2,1-3H3,(H,28,29)/b27-17+
InChIKey
DGVQYLGHJPWREE-WPWMEQJKSA-N
Compound name
[2-ethoxy-4-[(E)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.17908 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.18636 211.9
[M+Na]+ 485.16830 215.9
[M-H]- 461.17180 222.3
[M+NH4]+ 480.21290 219.3
[M+K]+ 501.14224 213.6
[M+H-H2O]+ 445.17634 199.8
[M+HCOO]- 507.17728 236.3
[M+CH3COO]- 521.19293 241.0
[M+Na-2H]- 483.15375 212.5
[M]+ 462.17853 218.9
[M]- 462.17963 218.9
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.