CID 45055003

4-(2-(2-fluorobenzoyl)carbohydrazonoyl)-2-methoxyphenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C23H19FN2O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3F)OC
InChI
InChI=1S/C23H19FN2O5/c1-29-17-10-8-16(9-11-17)23(28)31-20-12-7-15(13-21(20)30-2)14-25-26-22(27)18-5-3-4-6-19(18)24/h3-14H,1-2H3,(H,26,27)/b25-14+
InChIKey
OHPWJYHNJVHLJM-AFUMVMLFSA-N
Compound name
[4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1278 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.13508 199.3
[M+Na]+ 445.11702 205.1
[M-H]- 421.12052 209.0
[M+NH4]+ 440.16162 208.6
[M+K]+ 461.09096 202.0
[M+H-H2O]+ 405.12506 187.2
[M+HCOO]- 467.12600 223.6
[M+CH3COO]- 481.14165 232.7
[M+Na-2H]- 443.10247 200.6
[M]+ 422.12725 203.1
[M]- 422.12835 203.1
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.