CID 2063631

3-(4-iodoanilino)-1-(4-methylphenyl)-1-propanone

Structural Information

Molecular Formula
C16H16INO
SMILES
CC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)I
InChI
InChI=1S/C16H16INO/c1-12-2-4-13(5-3-12)16(19)10-11-18-15-8-6-14(17)7-9-15/h2-9,18H,10-11H2,1H3
InChIKey
JKXLMRXZRORAKP-UHFFFAOYSA-N
Compound name
3-(4-iodoanilino)-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.02765 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.03493 171.9
[M+Na]+ 388.01687 171.1
[M-H]- 364.02037 170.8
[M+NH4]+ 383.06147 183.3
[M+K]+ 403.99081 172.7
[M+H-H2O]+ 348.02491 160.2
[M+HCOO]- 410.02585 190.3
[M+CH3COO]- 424.04150 207.4
[M+Na-2H]- 386.00232 163.8
[M]+ 365.02710 169.0
[M]- 365.02820 169.0
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.