CID 6474699

2-iodo-3'-aminochalcone

Structural Information

Molecular Formula
C15H12INO
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)C2=CC(=CC=C2)N)I
InChI
InChI=1S/C15H12INO/c16-14-7-2-1-4-11(14)8-9-15(18)12-5-3-6-13(17)10-12/h1-10H,17H2/b9-8+
InChIKey
OWCWJKXUABFCMB-CMDGGOBGSA-N
Compound name
(E)-1-(3-aminophenyl)-3-(2-iodophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.99637 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.00365 167.3
[M+Na]+ 371.98559 167.3
[M-H]- 347.98909 166.0
[M+NH4]+ 367.03019 179.1
[M+K]+ 387.95953 168.3
[M+H-H2O]+ 331.99363 156.0
[M+HCOO]- 393.99457 185.6
[M+CH3COO]- 408.01022 202.6
[M+Na-2H]- 369.97104 158.7
[M]+ 348.99582 162.4
[M]- 348.99692 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.