CID 9623938

4-(2-(3,4-dimethoxybenzoyl)carbohydrazonoyl)-2-methoxyphenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C26H26N2O7
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC(=C(C=C3)OC)OC)OC
InChI
InChI=1S/C26H26N2O7/c1-5-34-20-10-7-18(8-11-20)26(30)35-22-12-6-17(14-23(22)32-3)16-27-28-25(29)19-9-13-21(31-2)24(15-19)33-4/h6-16H,5H2,1-4H3,(H,28,29)/b27-16+
InChIKey
CJXGWHCSPLCRGB-JVWAILMASA-N
Compound name
[4-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.174 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.18128 214.3
[M+Na]+ 501.16322 218.9
[M-H]- 477.16672 225.1
[M+NH4]+ 496.20782 221.2
[M+K]+ 517.13716 217.6
[M+H-H2O]+ 461.17126 202.1
[M+HCOO]- 523.17220 238.8
[M+CH3COO]- 537.18785 244.6
[M+Na-2H]- 499.14867 214.4
[M]+ 478.17345 223.1
[M]- 478.17455 223.1
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.