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
[(2S,5R)-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]+ 266.132156 164.8
[M+Na]+ 288.114098 174.5
[M-H]- 264.117604 170.0
[M+NH4]+ 283.158703 185.3
[M+K]+ 304.088038 172.2
[M+H-H2O]+ 248.122140 159.1
[M+HCOO]- 310.123081 178.4
[M+CH3COO]- 324.138731 176.8
[M+Na-2H]- 286.099546 158.2
[M]+ 265.12433142 166.9
[M]- 265.12542858 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.