CID 45055204

2-(2-((4-(benzyloxy)phenoxy)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C29H23ClN2O5
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)OCC(=O)N/N=C/C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C29H23ClN2O5/c30-24-12-10-22(11-13-24)29(34)37-27-9-5-4-8-23(27)18-31-32-28(33)20-36-26-16-14-25(15-17-26)35-19-21-6-2-1-3-7-21/h1-18H,19-20H2,(H,32,33)/b31-18+
InChIKey
JUIUPNNPPQFRRZ-FDAWAROLSA-N
Compound name
[2-[(E)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.1296 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.13688 223.5
[M+Na]+ 537.11882 227.5
[M-H]- 513.12232 236.2
[M+NH4]+ 532.16342 228.9
[M+K]+ 553.09276 222.0
[M+H-H2O]+ 497.12686 210.8
[M+HCOO]- 559.12780 243.3
[M+CH3COO]- 573.14345 245.6
[M+Na-2H]- 535.10427 225.1
[M]+ 514.12905 229.6
[M]- 514.13015 229.6
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.