CID 135566419

(5s)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5h)-one

Structural Information

Molecular Formula
C15H26N2OS
SMILES
CCC[C@]1(C(=O)NC(=NC2CCCCCCC2)S1)C
InChI
InChI=1S/C15H26N2OS/c1-3-11-15(2)13(18)17-14(19-15)16-12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H,16,17,18)/t15-/m0/s1
InChIKey
SBTHYUAUBLEDJY-HNNXBMFYSA-N
Compound name
(5S)-2-cyclooctylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

282.17657 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18385 169.2
[M+Na]+ 305.16579 172.8
[M-H]- 281.16929 171.2
[M+NH4]+ 300.21039 177.5
[M+K]+ 321.13973 172.0
[M+H-H2O]+ 265.17383 165.1
[M+HCOO]- 327.17477 174.7
[M+CH3COO]- 341.19042 229.1
[M+Na-2H]- 303.15124 165.6
[M]+ 282.17602 166.9
[M]- 282.17712 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

literature stripe

Patent stripe

patents stripe