CID 16727852

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

Structural Information

Molecular Formula
C22H31N3S
SMILES
C1C2CC3CC1CC(C2)C3C4=NN=C(S4)NC5C6CC7CC(C6)CC5C7
InChI
InChI=1S/C22H31N3S/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-24-25-22(26-21)23-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2,(H,23,25)
InChIKey
OCANMDGYIDZKTL-UHFFFAOYSA-N
Compound name
N,5-bis(2-adamantyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.22388 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.23116 154.5
[M+Na]+ 392.21310 146.9
[M-H]- 368.21660 144.0
[M+NH4]+ 387.25770 171.8
[M+K]+ 408.18704 143.4
[M+H-H2O]+ 352.22114 143.5
[M+HCOO]- 414.22208 141.6
[M+CH3COO]- 428.23773 155.3
[M+Na-2H]- 390.19855 161.0
[M]+ 369.22333 153.1
[M]- 369.22443 153.1
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.