CID 5818811

4-(2-((4-propylphenoxy)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C25H23ClN2O4
SMILES
CCCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C25H23ClN2O4/c1-2-3-18-4-12-22(13-5-18)31-17-24(29)28-27-16-19-6-14-23(15-7-19)32-25(30)20-8-10-21(26)11-9-20/h4-16H,2-3,17H2,1H3,(H,28,29)/b27-16+
InChIKey
HLDGRJBNUPDUDN-JVWAILMASA-N
Compound name
[4-[(E)-[[2-(4-propylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.13464 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.14192 209.1
[M+Na]+ 473.12386 214.2
[M-H]- 449.12736 219.3
[M+NH4]+ 468.16846 218.1
[M+K]+ 489.09780 208.6
[M+H-H2O]+ 433.13190 198.4
[M+HCOO]- 495.13284 229.2
[M+CH3COO]- 509.14849 235.8
[M+Na-2H]- 471.10931 210.1
[M]+ 450.13409 215.4
[M]- 450.13519 215.4
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.