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 191.9
[M+Na]+ 415.10647 197.6
[M-H]- 391.10997 201.5
[M+NH4]+ 410.15107 202.3
[M+K]+ 431.08041 193.7
[M+H-H2O]+ 375.11451 180.1
[M+HCOO]- 437.11545 216.5
[M+CH3COO]- 451.13110 226.3
[M+Na-2H]- 413.09192 194.4
[M]+ 392.11670 193.6
[M]- 392.11780 193.6
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.