CID 5203866

477320-51-7

Structural Information

Molecular Formula
C21H18INO
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCNC3=CC=C(C=C3)I
InChI
InChI=1S/C21H18INO/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
KZNAUKVIJCAHHG-UHFFFAOYSA-N
Compound name
3-(4-iodoanilino)-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.0433 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.05058 188.7
[M+Na]+ 450.03252 186.8
[M-H]- 426.03602 189.7
[M+NH4]+ 445.07712 196.8
[M+K]+ 466.00646 186.8
[M+H-H2O]+ 410.04056 175.1
[M+HCOO]- 472.04150 206.4
[M+CH3COO]- 486.05715 217.6
[M+Na-2H]- 448.01797 180.5
[M]+ 427.04275 184.6
[M]- 427.04385 184.6
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.