CID 9665881

1-(2-((4-fluorophenoxy)acetyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C28H23FN2O6
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)COC4=CC=C(C=C4)F)OC
InChI
InChI=1S/C28H23FN2O6/c1-34-25-14-8-19(15-26(25)35-2)28(33)37-24-13-7-18-5-3-4-6-22(18)23(24)16-30-31-27(32)17-36-21-11-9-20(29)10-12-21/h3-16H,17H2,1-2H3,(H,31,32)/b30-16+
InChIKey
ZOLAFGGXYWNRFW-OKCVXOCRSA-N
Compound name
[1-[(E)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.15402 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.16130 220.1
[M+Na]+ 525.14324 225.0
[M-H]- 501.14674 230.0
[M+NH4]+ 520.18784 226.6
[M+K]+ 541.11718 221.8
[M+H-H2O]+ 485.15128 206.5
[M+HCOO]- 547.15222 242.0
[M+CH3COO]- 561.16787 248.6
[M+Na-2H]- 523.12869 221.5
[M]+ 502.15347 225.6
[M]- 502.15457 225.6
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.