CID 3011977

Ak-245/10105011

Structural Information

Molecular Formula
C16H25N3OS
SMILES
CN(C)CCSC1=NN=C(O1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C16H25N3OS/c1-19(2)3-4-21-15-18-17-14(20-15)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,3-10H2,1-2H3
InChIKey
DHAGEUNHDUUFKN-UHFFFAOYSA-N
Compound name
2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.17184 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17912 164.9
[M+Na]+ 330.16106 167.2
[M-H]- 306.16456 161.9
[M+NH4]+ 325.20566 185.6
[M+K]+ 346.13500 166.4
[M+H-H2O]+ 290.16910 157.4
[M+HCOO]- 352.17004 167.3
[M+CH3COO]- 366.18569 172.6
[M+Na-2H]- 328.14651 172.6
[M]+ 307.17129 170.9
[M]- 307.17239 170.9
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.