CID 76964745

N-(3-{2h,3h,5h,6h-imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2-methylpropanamide

Structural Information

Molecular Formula
C15H19N3OS
SMILES
CC(C)C(=O)NC1=CC=CC(=C1)[C@H]2CN3CCSC3=N2
InChI
InChI=1S/C15H19N3OS/c1-10(2)14(19)16-12-5-3-4-11(8-12)13-9-18-6-7-20-15(18)17-13/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKey
YWDWYOALXURQPZ-CYBMUJFWSA-N
Compound name
2-methyl-N-[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

1800
Patents

289.12488 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13216 168.1
[M+Na]+ 312.11410 174.8
[M-H]- 288.11760 173.4
[M+NH4]+ 307.15870 186.1
[M+K]+ 328.08804 171.4
[M+H-H2O]+ 272.12214 161.0
[M+HCOO]- 334.12308 182.7
[M+CH3COO]- 348.13873 178.9
[M+Na-2H]- 310.09955 165.7
[M]+ 289.12433 168.6
[M]- 289.12543 168.6
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