CID 490086

1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-3-phenyl-urea

Structural Information

Molecular Formula
C18H20N4O
SMILES
CC(C)(C)C1=C(N2C=CC=CC2=N1)NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C18H20N4O/c1-18(2,3)15-16(22-12-8-7-11-14(22)20-15)21-17(23)19-13-9-5-4-6-10-13/h4-12H,1-3H3,(H2,19,21,23)
InChIKey
OBLUNTPIACMORO-UHFFFAOYSA-N
Compound name
1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.1637 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.17098 173.8
[M+Na]+ 331.15292 181.5
[M-H]- 307.15642 179.6
[M+NH4]+ 326.19752 188.3
[M+K]+ 347.12686 176.7
[M+H-H2O]+ 291.16096 164.9
[M+HCOO]- 353.16190 196.1
[M+CH3COO]- 367.17755 209.2
[M+Na-2H]- 329.13837 180.6
[M]+ 308.16315 175.1
[M]- 308.16425 175.1
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.