CID 9628119

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

Structural Information

Molecular Formula
C23H18FN3O5
SMILES
COC1=CC=CC=C1NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C23H18FN3O5/c1-31-20-9-5-4-8-19(20)26-21(28)22(29)27-25-14-15-10-12-16(13-11-15)32-23(30)17-6-2-3-7-18(17)24/h2-14H,1H3,(H,26,28)(H,27,29)/b25-14+
InChIKey
PYYOTKCXHZSGQL-AFUMVMLFSA-N
Compound name
[4-[(E)-[[2-(2-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 201.9
[M+Na]+ 458.11227 212.2
[M+NH4]+ 453.15687 205.7
[M+K]+ 474.08621 206.3
[M-H]- 434.11577 206.2
[M+Na-2H]- 456.09772 209.7
[M]+ 435.12250 204.1
[M]- 435.12360 204.1
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.