CID 3003561

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

Structural Information

Molecular Formula
C18H20N4S
SMILES
CC(C)(C)C1=C(N2C=CC=CC2=N1)NC(=S)NC3=CC=CC=C3
InChI
InChI=1S/C18H20N4S/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
DPDCZBSFEZSRFQ-UHFFFAOYSA-N
Compound name
1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.14087 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14815 177.3
[M+Na]+ 347.13009 186.0
[M-H]- 323.13359 183.1
[M+NH4]+ 342.17469 192.2
[M+K]+ 363.10403 179.6
[M+H-H2O]+ 307.13813 169.2
[M+HCOO]- 369.13907 194.5
[M+CH3COO]- 383.15472 188.1
[M+Na-2H]- 345.11554 181.6
[M]+ 324.14032 179.8
[M]- 324.14142 179.8
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

No patent data available for this compound.