CID 51060584

Methyl 4-((2-(2-(anilino(oxo)acetyl)carbohydrazonoyl)phenoxy)methyl)benzoate

Structural Information

Molecular Formula
C24H21N3O5
SMILES
COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/NC(=O)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C24H21N3O5/c1-31-24(30)18-13-11-17(12-14-18)16-32-21-10-6-5-7-19(21)15-25-27-23(29)22(28)26-20-8-3-2-4-9-20/h2-15H,16H2,1H3,(H,26,28)(H,27,29)/b25-15+
InChIKey
GHQCZSDMKCZKRE-MFKUBSTISA-N
Compound name
methyl 4-[[2-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.14813 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.15541 202.4
[M+Na]+ 454.13735 205.0
[M-H]- 430.14085 212.5
[M+NH4]+ 449.18195 210.3
[M+K]+ 470.11129 202.3
[M+H-H2O]+ 414.14539 190.7
[M+HCOO]- 476.14633 227.6
[M+CH3COO]- 490.16198 234.7
[M+Na-2H]- 452.12280 204.8
[M]+ 431.14758 204.5
[M]- 431.14868 204.5
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.