CID 6480435

Chembl157007

Structural Information

Molecular Formula
C17H15IN4O
SMILES
CNC(=O)/C=C(\C1=CC=CC=C1)/C2=CN3C(=NC(=C3I)N)C=C2
InChI
InChI=1S/C17H15IN4O/c1-20-15(23)9-13(11-5-3-2-4-6-11)12-7-8-14-21-17(19)16(18)22(14)10-12/h2-10H,19H2,1H3,(H,20,23)/b13-9+
InChIKey
HOTZVCCANXVZNG-UKTHLTGXSA-N
Compound name
(E)-3-(2-amino-3-iodoimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.02905 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.03633 180.7
[M+Na]+ 441.01827 181.8
[M-H]- 417.02177 178.7
[M+NH4]+ 436.06287 189.9
[M+K]+ 456.99221 181.9
[M+H-H2O]+ 401.02631 167.9
[M+HCOO]- 463.02725 197.9
[M+CH3COO]- 477.04290 187.0
[M+Na-2H]- 439.00372 172.2
[M]+ 418.02850 177.6
[M]- 418.02960 177.6
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.