CID 9635972

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

Structural Information

Molecular Formula
C26H25ClN2O5
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C26H25ClN2O5/c1-2-3-16-32-22-12-14-23(15-13-22)33-18-25(30)29-28-17-20-6-4-5-7-24(20)34-26(31)19-8-10-21(27)11-9-19/h4-15,17H,2-3,16,18H2,1H3,(H,29,30)/b28-17+
InChIKey
XPGAKMWTPBDQJK-OGLMXYFKSA-N
Compound name
[2-[(E)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.1452 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.15248 215.6
[M+Na]+ 503.13442 220.0
[M-H]- 479.13792 225.6
[M+NH4]+ 498.17902 223.3
[M+K]+ 519.10836 215.1
[M+H-H2O]+ 463.14246 204.5
[M+HCOO]- 525.14340 235.6
[M+CH3COO]- 539.15905 240.8
[M+Na-2H]- 501.11987 216.4
[M]+ 480.14465 223.6
[M]- 480.14575 223.6
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.