CID 15956026

2-cyclohexyl-6-phenyl-5-(tetrahydropyran-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole

Structural Information

Molecular Formula
C22H27N3OS
SMILES
C1CCC(CC1)C2=NN3C(=C(N=C3S2)C4=CC=CC=C4)CC5CCOCC5
InChI
InChI=1S/C22H27N3OS/c1-3-7-17(8-4-1)20-19(15-16-11-13-26-14-12-16)25-22(23-20)27-21(24-25)18-9-5-2-6-10-18/h1,3-4,7-8,16,18H,2,5-6,9-15H2
InChIKey
MDMXPUDEZWQIHT-UHFFFAOYSA-N
Compound name
2-cyclohexyl-5-(oxan-4-ylmethyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.18747 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19475 188.9
[M+Na]+ 404.17669 194.9
[M-H]- 380.18019 198.5
[M+NH4]+ 399.22129 200.0
[M+K]+ 420.15063 189.8
[M+H-H2O]+ 364.18473 179.4
[M+HCOO]- 426.18567 198.8
[M+CH3COO]- 440.20132 197.6
[M+Na-2H]- 402.16214 184.6
[M]+ 381.18692 186.4
[M]- 381.18802 186.4
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.