CID 853547

6-phenylimidazo[2,1-b][1,3,4]thiadiazole

Structural Information

Molecular Formula
C10H7N3S
SMILES
C1=CC=C(C=C1)C2=CN3C(=N2)SC=N3
InChI
InChI=1S/C10H7N3S/c1-2-4-8(5-3-1)9-6-13-10(12-9)14-7-11-13/h1-7H
InChIKey
GFPSTSCYNCOYTN-UHFFFAOYSA-N
Compound name
6-phenylimidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

77
Patents

201.03607 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.043346 139.0
[M+Na]+ 224.025288 152.2
[M-H]- 200.028794 144.6
[M+NH4]+ 219.069893 160.0
[M+K]+ 239.999228 148.2
[M+H-H2O]+ 184.033330 132.1
[M+HCOO]- 246.034271 159.2
[M+CH3COO]- 260.049921 153.8
[M+Na-2H]- 222.010736 143.4
[M]+ 201.03552142 143.4
[M]- 201.03661858 143.4
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

patents stripe