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]+ 447.19145 208.8
[M+Na]+ 469.17339 211.2
[M-H]- 445.17689 218.4
[M+NH4]+ 464.21799 216.4
[M+K]+ 485.14733 207.8
[M+H-H2O]+ 429.18143 196.6
[M+HCOO]- 491.18237 233.1
[M+CH3COO]- 505.19802 236.2
[M+Na-2H]- 467.15884 210.6
[M]+ 446.18362 213.5
[M]- 446.18472 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.