CID 3595900

279672-38-7

Structural Information

Molecular Formula
C21H18ClNO
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCNC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H18ClNO/c22-19-10-12-20(13-11-19)23-15-14-21(24)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,23H,14-15H2
InChIKey
BCXCHTWHIIQRIB-UHFFFAOYSA-N
Compound name
3-(4-chloroanilino)-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1077 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.11498 179.5
[M+Na]+ 358.09692 186.1
[M-H]- 334.10042 188.4
[M+NH4]+ 353.14152 193.0
[M+K]+ 374.07086 178.6
[M+H-H2O]+ 318.10496 170.5
[M+HCOO]- 380.10590 198.5
[M+CH3COO]- 394.12155 190.0
[M+Na-2H]- 356.08237 183.3
[M]+ 335.10715 180.8
[M]- 335.10825 180.8
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.