CID 19659853

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

Structural Information

Molecular Formula
C25H23N3O6
SMILES
CC1=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/C25H23N3O6/c1-16-4-9-19(10-5-16)27-23(29)24(30)28-26-15-17-6-13-21(22(14-17)33-3)34-25(31)18-7-11-20(32-2)12-8-18/h4-15H,1-3H3,(H,27,29)(H,28,30)/b26-15+
InChIKey
DNXBBJGQVYWEFZ-CVKSISIWSA-N
Compound name
[2-methoxy-4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.1587 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.16598 210.1
[M+Na]+ 484.14792 213.7
[M-H]- 460.15142 220.8
[M+NH4]+ 479.19252 217.2
[M+K]+ 500.12186 212.0
[M+H-H2O]+ 444.15596 198.3
[M+HCOO]- 506.15690 235.1
[M+CH3COO]- 520.17255 242.6
[M+Na-2H]- 482.13337 210.8
[M]+ 461.15815 214.7
[M]- 461.15925 214.7
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.