CID 51060469

Methyl 4-((2-(2-(((4-fluorobenzoyl)amino)acetyl)carbohydrazonoyl)phenoxy)methyl)benzoate

Structural Information

Molecular Formula
C25H22FN3O5
SMILES
COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/NC(=O)CNC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C25H22FN3O5/c1-33-25(32)19-8-6-17(7-9-19)16-34-22-5-3-2-4-20(22)14-28-29-23(30)15-27-24(31)18-10-12-21(26)13-11-18/h2-14H,15-16H2,1H3,(H,27,31)(H,29,30)/b28-14+
InChIKey
ZOYWHSDRHGJSOL-CCVNUDIWSA-N
Compound name
methyl 4-[[2-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.15436 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.16164 210.0
[M+Na]+ 486.14358 213.0
[M-H]- 462.14708 218.9
[M+NH4]+ 481.18818 216.7
[M+K]+ 502.11752 209.7
[M+H-H2O]+ 446.15162 197.2
[M+HCOO]- 508.15256 233.8
[M+CH3COO]- 522.16821 242.1
[M+Na-2H]- 484.12903 210.6
[M]+ 463.15381 211.9
[M]- 463.15491 211.9
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.