CID 4576233

3-(4-iodoanilino)-1-(2-naphthyl)-1-propanone

Structural Information

Molecular Formula
C19H16INO
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)CCNC3=CC=C(C=C3)I
InChI
InChI=1S/C19H16INO/c20-17-7-9-18(10-8-17)21-12-11-19(22)16-6-5-14-3-1-2-4-15(14)13-16/h1-10,13,21H,11-12H2
InChIKey
LXHZPZUYVDLDPI-UHFFFAOYSA-N
Compound name
3-(4-iodoanilino)-1-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.02765 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.03493 182.6
[M+Na]+ 424.01687 189.7
[M+NH4]+ 419.06147 187.4
[M+K]+ 439.99081 183.4
[M-H]- 400.02037 182.4
[M+Na-2H]- 422.00232 179.0
[M]+ 401.02710 182.7
[M]- 401.02820 182.7
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.