CID 9639700

3-(2-((4-fluorophenoxy)acetyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C23H19FN2O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=N/NC(=O)COC3=CC=C(C=C3)F
InChI
InChI=1S/C23H19FN2O5/c1-29-19-9-5-17(6-10-19)23(28)31-21-4-2-3-16(13-21)14-25-26-22(27)15-30-20-11-7-18(24)8-12-20/h2-14H,15H2,1H3,(H,26,27)/b25-14+
InChIKey
XBLJDZURQPDFAO-AFUMVMLFSA-N
Compound name
[3-[(E)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1278 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.13508 198.9
[M+Na]+ 445.11702 203.8
[M-H]- 421.12052 208.2
[M+NH4]+ 440.16162 207.9
[M+K]+ 461.09096 200.6
[M+H-H2O]+ 405.12506 186.6
[M+HCOO]- 467.12600 223.3
[M+CH3COO]- 481.14165 231.4
[M+Na-2H]- 443.10247 201.0
[M]+ 422.12725 202.2
[M]- 422.12835 202.2
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.