CID 9668400

3-(2-(2-fluorobenzoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C22H17FN2O4
SMILES
COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=N/NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C22H17FN2O4/c1-28-17-11-9-16(10-12-17)22(27)29-18-6-4-5-15(13-18)14-24-25-21(26)19-7-2-3-8-20(19)23/h2-14H,1H3,(H,25,26)/b24-14+
InChIKey
IZAKLUGNJWHOSK-ZVHZXABRSA-N
Compound name
[3-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.11725 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.12453 193.1
[M+Na]+ 415.10647 205.8
[M+NH4]+ 410.15107 198.6
[M+K]+ 431.08041 198.3
[M-H]- 391.10997 198.1
[M+Na-2H]- 413.09192 202.3
[M]+ 392.11670 196.1
[M]- 392.11780 196.1
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.