CID 3011978

Ak-245/10105012

Structural Information

Molecular Formula
C19H29N3OS
SMILES
C1CCN(CC1)CCSC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C19H29N3OS/c1-2-4-22(5-3-1)6-7-24-18-21-20-17(23-18)19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,1-13H2
InChIKey
KBXAJTKEROHHLJ-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.20312 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.21040 169.3
[M+Na]+ 370.19234 169.7
[M-H]- 346.19584 165.7
[M+NH4]+ 365.23694 186.0
[M+K]+ 386.16628 167.1
[M+H-H2O]+ 330.20038 159.4
[M+HCOO]- 392.20132 165.8
[M+CH3COO]- 406.21697 174.7
[M+Na-2H]- 368.17779 174.3
[M]+ 347.20257 169.7
[M]- 347.20367 169.7
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.