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]+ 402.034926 177.4
[M+Na]+ 424.016868 176.6
[M-H]- 400.020374 176.7
[M+NH4]+ 419.061473 188.0
[M+K]+ 439.990808 176.9
[M+H-H2O]+ 384.024910 165.0
[M+HCOO]- 446.025851 194.5
[M+CH3COO]- 460.041501 183.9
[M+Na-2H]- 422.002316 171.3
[M]+ 401.02710142 174.1
[M]- 401.02819858 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.