CID 459285

1-phenyl-2-(4-phenylanilino)ethanone

Structural Information

Molecular Formula
C20H17NO
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)NCC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H17NO/c22-20(18-9-5-2-6-10-18)15-21-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14,21H,15H2
InChIKey
VACINPDCZJVUQP-UHFFFAOYSA-N
Compound name
1-phenyl-2-(4-phenylanilino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.131 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13828 167.5
[M+Na]+ 310.12022 172.7
[M-H]- 286.12372 176.5
[M+NH4]+ 305.16482 181.7
[M+K]+ 326.09416 167.1
[M+H-H2O]+ 270.12826 158.1
[M+HCOO]- 332.12920 191.4
[M+CH3COO]- 346.14485 178.6
[M+Na-2H]- 308.10567 173.2
[M]+ 287.13045 165.6
[M]- 287.13155 165.6
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

No patent data available for this compound.