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 218.6
[M+Na]+ 505.15340 222.9
[M-H]- 481.15690 230.4
[M+NH4]+ 500.19800 224.6
[M+K]+ 521.12734 217.6
[M+H-H2O]+ 465.16144 204.6
[M+HCOO]- 527.16238 241.5
[M+CH3COO]- 541.17803 244.0
[M+Na-2H]- 503.13885 219.0
[M]+ 482.16363 220.0
[M]- 482.16473 220.0
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.