CID 9652622

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

Structural Information

Molecular Formula
C26H26N2O5
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H26N2O5/c1-2-3-17-31-22-13-15-23(16-14-22)32-19-25(29)28-27-18-20-9-11-24(12-10-20)33-26(30)21-7-5-4-6-8-21/h4-16,18H,2-3,17,19H2,1H3,(H,28,29)/b27-18+
InChIKey
JUUZPCXGGMCJNW-OVVQPSECSA-N
Compound name
[4-[(E)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.18417 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.191446 208.8
[M+Na]+ 469.173388 211.2
[M-H]- 445.176894 218.4
[M+NH4]+ 464.217993 216.4
[M+K]+ 485.147328 207.8
[M+H-H2O]+ 429.181430 196.6
[M+HCOO]- 491.182371 233.1
[M+CH3COO]- 505.198021 236.2
[M+Na-2H]- 467.158836 210.6
[M]+ 446.18362142 213.5
[M]- 446.18471858 213.5
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.