CID 9639825

769150-20-1

Structural Information

Molecular Formula
C27H27N3O7
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)OCC
InChI
InChI=1S/C27H27N3O7/c1-4-35-22-13-9-20(10-14-22)29-25(31)26(32)30-28-17-18-6-15-23(24(16-18)36-5-2)37-27(33)19-7-11-21(34-3)12-8-19/h6-17H,4-5H2,1-3H3,(H,29,31)(H,30,32)/b28-17+
InChIKey
ZAFFFVSKZFFCHV-OGLMXYFKSA-N
Compound name
[2-ethoxy-4-[(E)-[[2-(4-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.1849 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.19218 220.7
[M+Na]+ 528.17412 223.1
[M-H]- 504.17762 231.0
[M+NH4]+ 523.21872 225.8
[M+K]+ 544.14806 221.9
[M+H-H2O]+ 488.18216 208.2
[M+HCOO]- 550.18310 245.1
[M+CH3COO]- 564.19875 250.5
[M+Na-2H]- 526.15957 220.7
[M]+ 505.18435 227.3
[M]- 505.18545 227.3
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.