CID 119570

Pramipexole

Structural Information

Molecular Formula
C10H17N3S
SMILES
CCCN[C@H]1CCC2=C(C1)SC(=N2)N
InChI
InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
InChIKey
FASDKYOPVNHBLU-ZETCQYMHSA-N
Compound name
(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1611
References

41077
Patents

211.11432 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.121596 144.2
[M+Na]+ 234.103538 151.2
[M-H]- 210.107044 146.6
[M+NH4]+ 229.148143 164.7
[M+K]+ 250.077478 147.5
[M+H-H2O]+ 194.111580 137.9
[M+HCOO]- 256.112521 161.2
[M+CH3COO]- 270.128171 190.2
[M+Na-2H]- 232.088986 146.4
[M]+ 211.11377142 142.6
[M]- 211.11486858 142.6
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