CID 15956030

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

Structural Information

Molecular Formula
C20H19N3OS2
SMILES
C1COCCC1CC2=C(N=C3N2N=C(S3)C4=CC=CS4)C5=CC=CC=C5
InChI
InChI=1S/C20H19N3OS2/c1-2-5-15(6-3-1)18-16(13-14-8-10-24-11-9-14)23-20(21-18)26-19(22-23)17-7-4-12-25-17/h1-7,12,14H,8-11,13H2
InChIKey
RNONHRRQMSMCKC-UHFFFAOYSA-N
Compound name
5-(oxan-4-ylmethyl)-6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.09695 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.10423 183.8
[M+Na]+ 404.08617 196.6
[M-H]- 380.08967 196.5
[M+NH4]+ 399.13077 198.7
[M+K]+ 420.06011 191.8
[M+H-H2O]+ 364.09421 178.6
[M+HCOO]- 426.09515 197.1
[M+CH3COO]- 440.11080 195.9
[M+Na-2H]- 402.07162 180.1
[M]+ 381.09640 189.4
[M]- 381.09750 189.4
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.