CID 135480768

(5s)-5-[(1r)-1-(1h-indol-3-yl)ethyl]-2-(methylamino)thiazol-4-one

Structural Information

Molecular Formula
C14H15N3OS
SMILES
C[C@@H]([C@H]1C(=O)NC(=NC)S1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C14H15N3OS/c1-8(12-13(18)17-14(15-2)19-12)10-7-16-11-6-4-3-5-9(10)11/h3-8,12,16H,1-2H3,(H,15,17,18)/t8-,12+/m1/s1
InChIKey
LNAVOACFLBACSL-PELKAZGASA-N
Compound name
(5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-methylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.0936 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10088 162.2
[M+Na]+ 296.08282 171.6
[M-H]- 272.08632 167.1
[M+NH4]+ 291.12742 180.6
[M+K]+ 312.05676 166.0
[M+H-H2O]+ 256.09086 155.9
[M+HCOO]- 318.09180 178.4
[M+CH3COO]- 332.10745 173.9
[M+Na-2H]- 294.06827 161.2
[M]+ 273.09305 162.3
[M]- 273.09415 162.3
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.