CID 9634388

4-(2-((4-ethoxyanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C26H25N3O7
SMILES
CCOC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C26H25N3O7/c1-4-35-20-12-8-19(9-13-20)28-24(30)25(31)29-27-16-17-5-10-21(11-6-17)36-26(32)18-7-14-22(33-2)23(15-18)34-3/h5-16H,4H2,1-3H3,(H,28,30)(H,29,31)/b27-16+
InChIKey
VOQVDPIGSRLTDL-JVWAILMASA-N
Compound name
[4-[(E)-[[2-(4-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.16925 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.17653 216.4
[M+Na]+ 514.15847 219.2
[M-H]- 490.16197 226.9
[M+NH4]+ 509.20307 222.1
[M+K]+ 530.13241 218.2
[M+H-H2O]+ 474.16651 204.1
[M+HCOO]- 536.16745 241.1
[M+CH3COO]- 550.18310 247.7
[M+Na-2H]- 512.14392 216.8
[M]+ 491.16870 222.7
[M]- 491.16980 222.7
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.