CID 9633522

4-(2-(2-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)phenyl 4-butoxybenzoate

Structural Information

Molecular Formula
C32H29ClN2O5
SMILES
CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C32H29ClN2O5/c1-2-3-20-38-27-18-12-25(13-19-27)32(37)40-28-16-10-23(11-17-28)21-34-35-31(36)29-6-4-5-7-30(29)39-22-24-8-14-26(33)15-9-24/h4-19,21H,2-3,20,22H2,1H3,(H,35,36)/b34-21+
InChIKey
XMZAOJIUGCQXDO-KEIPNQJHSA-N
Compound name
[4-[(E)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.1765 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.18378 237.2
[M+Na]+ 579.16572 240.6
[M-H]- 555.16922 249.6
[M+NH4]+ 574.21032 241.0
[M+K]+ 595.13966 234.8
[M+H-H2O]+ 539.17376 223.9
[M+HCOO]- 601.17470 255.8
[M+CH3COO]- 615.19035 255.2
[M+Na-2H]- 577.15117 236.5
[M]+ 556.17595 244.6
[M]- 556.17705 244.6
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.