CID 16727851

N-(2-adamantyl)-5-(2-thienyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C16H19N3S2
SMILES
C1C2CC3CC1CC(C2)C3NC4=NN=C(S4)C5=CC=CS5
InChI
InChI=1S/C16H19N3S2/c1-2-13(20-3-1)15-18-19-16(21-15)17-14-11-5-9-4-10(7-11)8-12(14)6-9/h1-3,9-12,14H,4-8H2,(H,17,19)
InChIKey
OGXGNMPIBDEBDD-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.10205 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10933 156.1
[M+Na]+ 340.09127 161.9
[M-H]- 316.09477 155.9
[M+NH4]+ 335.13587 178.0
[M+K]+ 356.06521 158.6
[M+H-H2O]+ 300.09931 152.3
[M+HCOO]- 362.10025 158.9
[M+CH3COO]- 376.11590 165.4
[M+Na-2H]- 338.07672 163.0
[M]+ 317.10150 162.3
[M]- 317.10260 162.3
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.