CID 9798599

8-(2-ethyl-6-methylbenzylamino)-3-hydroxymethyl-2-methylimidazo[1,2-a]pyridine-6-carboxamide

Structural Information

Molecular Formula
C20H24N4O2
SMILES
CCC1=CC=CC(=C1CNC2=CC(=CN3C2=NC(=C3CO)C)C(=O)N)C
InChI
InChI=1S/C20H24N4O2/c1-4-14-7-5-6-12(2)16(14)9-22-17-8-15(19(21)26)10-24-18(11-25)13(3)23-20(17)24/h5-8,10,22,25H,4,9,11H2,1-3H3,(H2,21,26)
InChIKey
CKAMGCWTONYLBM-UHFFFAOYSA-N
Compound name
8-[(2-ethyl-6-methylphenyl)methylamino]-3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

73
Patents

352.1899 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.197176 186.9
[M+Na]+ 375.179118 196.0
[M-H]- 351.182624 191.5
[M+NH4]+ 370.223723 199.4
[M+K]+ 391.153058 189.9
[M+H-H2O]+ 335.187160 178.0
[M+HCOO]- 397.188101 208.0
[M+CH3COO]- 411.203751 221.2
[M+Na-2H]- 373.164566 187.4
[M]+ 352.18935142 189.8
[M]- 352.19044858 189.8
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