CID 6115550

329778-40-7

Structural Information

Molecular Formula
C17H16INO
SMILES
CC1=CC(=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)I)C
InChI
InChI=1S/C17H16INO/c1-12-3-4-14(13(2)11-12)5-10-17(20)19-16-8-6-15(18)7-9-16/h3-11H,1-2H3,(H,19,20)/b10-5+
InChIKey
GHZBWBZBLUKUOQ-BJMVGYQFSA-N
Compound name
(E)-3-(2,4-dimethylphenyl)-N-(4-iodophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.02765 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.03493 174.3
[M+Na]+ 400.01687 174.4
[M-H]- 376.02037 173.6
[M+NH4]+ 395.06147 185.7
[M+K]+ 415.99081 175.4
[M+H-H2O]+ 360.02491 162.8
[M+HCOO]- 422.02585 192.6
[M+CH3COO]- 436.04150 209.4
[M+Na-2H]- 398.00232 165.1
[M]+ 377.02710 171.4
[M]- 377.02820 171.4
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.