CID 51060766

Methyl 4-((2-(2-(4-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)phenoxy)methyl)benzoate

Structural Information

Molecular Formula
C30H25ClN2O5
SMILES
COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/NC(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C30H25ClN2O5/c1-36-30(35)24-10-6-21(7-11-24)20-38-28-5-3-2-4-25(28)18-32-33-29(34)23-12-16-27(17-13-23)37-19-22-8-14-26(31)15-9-22/h2-18H,19-20H2,1H3,(H,33,34)/b32-18+
InChIKey
VTDMDWNCAUBYNN-KCSSXMTESA-N
Compound name
methyl 4-[[2-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.1452 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.15248 229.7
[M+Na]+ 551.13442 245.4
[M+NH4]+ 546.17902 235.5
[M+K]+ 567.10836 235.2
[M-H]- 527.13792 238.6
[M+Na-2H]- 549.11987 240.9
[M]+ 528.14465 234.8
[M]- 528.14575 234.8
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.