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 177.4
[M+Na]+ 424.01687 176.6
[M-H]- 400.02037 176.7
[M+NH4]+ 419.06147 188.0
[M+K]+ 439.99081 176.9
[M+H-H2O]+ 384.02491 165.0
[M+HCOO]- 446.02585 194.5
[M+CH3COO]- 460.04150 183.9
[M+Na-2H]- 422.00232 171.3
[M]+ 401.02710 174.1
[M]- 401.02820 174.1
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.