CID 3011993

5-(1-adamantyl)-3-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Structural Information

Molecular Formula
C19H30N4OS
SMILES
CCN1CCN(CC1)CN2C(=S)OC(=N2)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C19H30N4OS/c1-2-21-3-5-22(6-4-21)13-23-18(25)24-17(20-23)19-10-14-7-15(11-19)9-16(8-14)12-19/h14-16H,2-13H2,1H3
InChIKey
HFRDDAKVIRKLBX-UHFFFAOYSA-N
Compound name
5-(1-adamantyl)-3-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.21402 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.22130 176.9
[M+Na]+ 385.20324 179.2
[M-H]- 361.20674 172.5
[M+NH4]+ 380.24784 192.1
[M+K]+ 401.17718 175.8
[M+H-H2O]+ 345.21128 166.8
[M+HCOO]- 407.21222 172.1
[M+CH3COO]- 421.22787 182.0
[M+Na-2H]- 383.18869 180.1
[M]+ 362.21347 177.9
[M]- 362.21457 177.9
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

No patent data available for this compound.