CID 3063842

101692-38-0

Structural Information

Molecular Formula
C13H19N3OS
SMILES
C[C@@H]1CC[C@@H](N1C(=O)C2=C(N3CCN=C3S2)C)C
InChI
InChI=1S/C13H19N3OS/c1-8-4-5-9(2)16(8)12(17)11-10(3)15-7-6-14-13(15)18-11/h8-9H,4-7H2,1-3H3/t8-,9+
InChIKey
UDVZRLDMZXGRNO-DTORHVGOSA-N
Compound name
[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-(3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.12488 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13216 164.8
[M+Na]+ 288.11410 174.5
[M-H]- 264.11760 170.0
[M+NH4]+ 283.15870 185.3
[M+K]+ 304.08804 172.2
[M+H-H2O]+ 248.12214 159.1
[M+HCOO]- 310.12308 178.4
[M+CH3COO]- 324.13873 176.8
[M+Na-2H]- 286.09955 158.2
[M]+ 265.12433 166.9
[M]- 265.12543 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.