CID 6479703

Chembl154279

Structural Information

Molecular Formula
C20H22N4OS
SMILES
CC(C)SC1=C(N=C2N1C=C(C=C2)/C(=C/C(=O)NC)/C3=CC=CC=C3)N
InChI
InChI=1S/C20H22N4OS/c1-13(2)26-20-19(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
MAHNNHVMAARTAB-LFIBNONCSA-N
Compound name
(E)-3-(2-amino-3-propan-2-ylsulfanylimidazo[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

366.15143 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15871 188.3
[M+Na]+ 389.14065 195.6
[M-H]- 365.14415 193.4
[M+NH4]+ 384.18525 200.8
[M+K]+ 405.11459 189.2
[M+H-H2O]+ 349.14869 179.7
[M+HCOO]- 411.14963 203.9
[M+CH3COO]- 425.16528 220.6
[M+Na-2H]- 387.12610 187.2
[M]+ 366.15088 190.9
[M]- 366.15198 190.9
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