CID 9610953

2-methoxy-4-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C26H25N3O6
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=C(C=C3)C)OC
InChI
InChI=1S/C26H25N3O6/c1-4-34-21-12-8-19(9-13-21)26(32)35-22-14-7-18(15-23(22)33-3)16-27-29-25(31)24(30)28-20-10-5-17(2)6-11-20/h5-16H,4H2,1-3H3,(H,28,30)(H,29,31)/b27-16+
InChIKey
QTVDXPZVAORCFS-JVWAILMASA-N
Compound name
[2-methoxy-4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.17435 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.181626 214.5
[M+Na]+ 498.163568 217.6
[M-H]- 474.167074 225.0
[M+NH4]+ 493.208173 221.0
[M+K]+ 514.137508 215.7
[M+H-H2O]+ 458.171610 202.4
[M+HCOO]- 520.172551 239.1
[M+CH3COO]- 534.188201 245.4
[M+Na-2H]- 496.149016 214.6
[M]+ 475.17380142 219.4
[M]- 475.17489858 219.4
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.