CID 51060732

4-(2-((4-methoxyanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 2-fluorobenzoate

Structural Information

Molecular Formula
C23H18FN3O5
SMILES
COC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C23H18FN3O5/c1-31-17-12-8-16(9-13-17)26-21(28)22(29)27-25-14-15-6-10-18(11-7-15)32-23(30)19-4-2-3-5-20(19)24/h2-14H,1H3,(H,26,28)(H,27,29)/b25-14+
InChIKey
CPLCGVSMSUEBFM-AFUMVMLFSA-N
Compound name
[4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.12305 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.13033 201.5
[M+Na]+ 458.11227 205.6
[M-H]- 434.11577 210.9
[M+NH4]+ 453.15687 209.5
[M+K]+ 474.08621 202.6
[M+H-H2O]+ 418.12031 189.2
[M+HCOO]- 480.12125 226.1
[M+CH3COO]- 494.13690 235.7
[M+Na-2H]- 456.09772 203.1
[M]+ 435.12250 202.7
[M]- 435.12360 202.7
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.