CID 4545284

Oprea1_203680

Structural Information

Molecular Formula
C28H24N2O5
SMILES
COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)OC
InChI
InChI=1S/C28H24N2O5/c1-33-25-7-3-5-19(17-25)27(31)29-21-9-13-23(14-10-21)35-24-15-11-22(12-16-24)30-28(32)20-6-4-8-26(18-20)34-2/h3-18H,1-2H3,(H,29,31)(H,30,32)
InChIKey
ZBJQTZVNUZNIFW-UHFFFAOYSA-N
Compound name
3-methoxy-N-[4-[4-[(3-methoxybenzoyl)amino]phenoxy]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

468.16852 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.17580 213.2
[M+Na]+ 491.15774 216.8
[M-H]- 467.16124 225.3
[M+NH4]+ 486.20234 219.0
[M+K]+ 507.13168 212.9
[M+H-H2O]+ 451.16578 200.5
[M+HCOO]- 513.16672 236.0
[M+CH3COO]- 527.18237 240.0
[M+Na-2H]- 489.14319 214.7
[M]+ 468.16797 215.6
[M]- 468.16907 215.6
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

patents stripe