CID 9677175

2-methoxy-4-(2-((4-propylphenoxy)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C26H26N2O5
SMILES
CCCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC
InChI
InChI=1S/C26H26N2O5/c1-3-7-19-10-13-22(14-11-19)32-18-25(29)28-27-17-20-12-15-23(24(16-20)31-2)33-26(30)21-8-5-4-6-9-21/h4-6,8-17H,3,7,18H2,1-2H3,(H,28,29)/b27-17+
InChIKey
LILJRKUAILJBAO-WPWMEQJKSA-N
Compound name
[2-methoxy-4-[(E)-[[2-(4-propylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.18417 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.191446 209.2
[M+Na]+ 469.173388 212.6
[M-H]- 445.176894 219.3
[M+NH4]+ 464.217993 217.2
[M+K]+ 485.147328 209.3
[M+H-H2O]+ 429.181430 197.3
[M+HCOO]- 491.182371 233.5
[M+CH3COO]- 505.198021 237.5
[M+Na-2H]- 467.158836 210.3
[M]+ 446.18362142 214.5
[M]- 446.18471858 214.5
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.