CID 4657281

107194-50-3

Structural Information

Molecular Formula
C32H24N2O4
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)N)C(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)N
InChI
InChI=1S/C32H24N2O4/c33-25-9-17-29(18-10-25)37-27-13-5-23(6-14-27)31(35)21-1-2-22(4-3-21)32(36)24-7-15-28(16-8-24)38-30-19-11-26(34)12-20-30/h1-20H,33-34H2
InChIKey
HKWWRLBGQRLBRM-UHFFFAOYSA-N
Compound name
[4-[4-(4-aminophenoxy)benzoyl]phenyl]-[4-(4-aminophenoxy)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

754
Patents

500.1736 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.18088 223.9
[M+Na]+ 523.16282 227.5
[M-H]- 499.16632 237.6
[M+NH4]+ 518.20742 227.2
[M+K]+ 539.13676 221.6
[M+H-H2O]+ 483.17086 210.1
[M+HCOO]- 545.17180 244.4
[M+CH3COO]- 559.18745 230.4
[M+Na-2H]- 521.14827 222.8
[M]+ 500.17305 221.9
[M]- 500.17415 221.9
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