CID 6479704

Chembl157372

Structural Information

Molecular Formula
C20H22N4O3S
SMILES
CC(C)S(=O)(=O)C1=C(N=C2N1C=C(C=C2)/C(=C/C(=O)NC)/C3=CC=CC=C3)N
InChI
InChI=1S/C20H22N4O3S/c1-13(2)28(26,27)20-19(21)23-17-10-9-15(12-24(17)20)16(11-18(25)22-3)14-7-5-4-6-8-14/h4-13H,21H2,1-3H3,(H,22,25)/b16-11+
InChIKey
SJFMUYBKPGWPBV-LFIBNONCSA-N
Compound name
(E)-3-(2-amino-3-propan-2-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

398.14127 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14855 195.1
[M+Na]+ 421.13049 202.5
[M-H]- 397.13399 200.4
[M+NH4]+ 416.17509 205.9
[M+K]+ 437.10443 197.1
[M+H-H2O]+ 381.13853 187.0
[M+HCOO]- 443.13947 209.8
[M+CH3COO]- 457.15512 224.1
[M+Na-2H]- 419.11594 195.6
[M]+ 398.14072 198.5
[M]- 398.14182 198.5
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

patents stripe