CID 3025986

345627-80-7

Structural Information

Molecular Formula
C17H24N4O2S2
SMILES
CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCNCC3
InChI
InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)
InChIKey
OUSFTKFNBAZUKL-UHFFFAOYSA-N
Compound name
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

83
References

7318
Patents

380.13406 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14134 185.7
[M+Na]+ 403.12328 194.1
[M+NH4]+ 398.16788 191.7
[M+K]+ 419.09722 189.7
[M-H]- 379.12678 189.3
[M+Na-2H]- 401.10873 189.5
[M]+ 380.13351 188.6
[M]- 380.13461 188.6
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