CID 9636947

4-(2-(4-butoxybenzoyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C27H26Cl2N2O5
SMILES
CCCCOC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl)OCC
InChI
InChI=1S/C27H26Cl2N2O5/c1-3-5-14-35-21-10-7-19(8-11-21)26(32)31-30-17-18-6-13-24(25(15-18)34-4-2)36-27(33)22-12-9-20(28)16-23(22)29/h6-13,15-17H,3-5,14H2,1-2H3,(H,31,32)/b30-17+
InChIKey
FJFZWMNFFPUPRH-OCSSWDANSA-N
Compound name
[4-[(E)-[(4-butoxybenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.1219 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.12918 225.6
[M+Na]+ 551.11112 231.7
[M-H]- 527.11462 235.4
[M+NH4]+ 546.15572 232.6
[M+K]+ 567.08506 226.0
[M+H-H2O]+ 511.11916 215.6
[M+HCOO]- 573.12010 240.2
[M+CH3COO]- 587.13575 249.6
[M+Na-2H]- 549.09657 223.8
[M]+ 528.12135 236.4
[M]- 528.12245 236.4
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.