CID 4986130

477334-10-4

Structural Information

Molecular Formula
C27H23NO2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCNC3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C27H23NO2/c29-27(23-13-11-22(12-14-23)21-7-3-1-4-8-21)19-20-28-24-15-17-26(18-16-24)30-25-9-5-2-6-10-25/h1-18,28H,19-20H2
InChIKey
MZACCJKMRXXIRJ-UHFFFAOYSA-N
Compound name
3-(4-phenoxyanilino)-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.17288 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.18016 197.1
[M+Na]+ 416.16210 201.0
[M-H]- 392.16560 208.5
[M+NH4]+ 411.20670 206.2
[M+K]+ 432.13604 194.3
[M+H-H2O]+ 376.17014 185.2
[M+HCOO]- 438.17108 219.6
[M+CH3COO]- 452.18673 205.8
[M+Na-2H]- 414.14755 200.6
[M]+ 393.17233 196.3
[M]- 393.17343 196.3
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.