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

7
Annotation Hits: 1603
References: 39582
Patents: 211.11432 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.12160	145.0
[M+Na]+	234.10354	153.9
[M+NH4]+	229.14814	154.2
[M+K]+	250.07748	147.5
[M-H]-	210.10704	147.9
[M+Na-2H]-	232.08899	148.7
[M]+	211.11377	147.3
[M]-	211.11487	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe