CID 9639600

769148-58-5

Structural Information

Molecular Formula
C28H29N3O7
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=C(C=C3)OC)OCC
InChI
InChI=1S/C28H29N3O7/c1-4-16-37-23-11-7-20(8-12-23)28(34)38-24-15-6-19(17-25(24)36-5-2)18-29-31-27(33)26(32)30-21-9-13-22(35-3)14-10-21/h6-15,17-18H,4-5,16H2,1-3H3,(H,30,32)(H,31,33)/b29-18+
InChIKey
RUYYXPZSIZNOSK-RDRPBHBLSA-N
Compound name
[2-ethoxy-4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.20056 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.20784 225.9
[M+Na]+ 542.18978 235.5
[M+NH4]+ 537.23438 228.5
[M+K]+ 558.16372 229.8
[M-H]- 518.19328 230.7
[M+Na-2H]- 540.17523 232.2
[M]+ 519.20001 228.1
[M]- 519.20111 228.1
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.