CID 516380

Chembl3247559

Structural Information

Molecular Formula
C15H17N3OS
SMILES
C[C@@H]([C@H]1C(=O)N=C(S1)N(C)C)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C15H17N3OS/c1-9(13-14(19)17-15(20-13)18(2)3)11-8-16-12-7-5-4-6-10(11)12/h4-9,13,16H,1-3H3/t9-,13+/m1/s1
InChIKey
GGLZJDHKYZZWPG-RNCFNFMXSA-N
Compound name
(5S)-2-(dimethylamino)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.10922 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11650 166.5
[M+Na]+ 310.09844 176.2
[M-H]- 286.10194 173.1
[M+NH4]+ 305.14304 185.1
[M+K]+ 326.07238 172.2
[M+H-H2O]+ 270.10648 159.8
[M+HCOO]- 332.10742 184.0
[M+CH3COO]- 346.12307 178.8
[M+Na-2H]- 308.08389 165.3
[M]+ 287.10867 170.3
[M]- 287.10977 170.3
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

No patent data available for this compound.