CID 9625302

4-(2-(4-((4-methylbenzyl)oxy)benzoyl)carbohydrazonoyl)phenyl 2-fluorobenzoate

Structural Information

Molecular Formula
C29H23FN2O4
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4F
InChI
InChI=1S/C29H23FN2O4/c1-20-6-8-22(9-7-20)19-35-24-16-12-23(13-17-24)28(33)32-31-18-21-10-14-25(15-11-21)36-29(34)26-4-2-3-5-27(26)30/h2-18H,19H2,1H3,(H,32,33)/b31-18+
InChIKey
HOEBTAXUUAAGNX-FDAWAROLSA-N
Compound name
[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.16418 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.17146 220.1
[M+Na]+ 505.15340 234.4
[M+NH4]+ 500.19800 225.4
[M+K]+ 521.12734 224.9
[M-H]- 481.15690 227.7
[M+Na-2H]- 503.13885 230.9
[M]+ 482.16363 224.2
[M]- 482.16473 224.2
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.