CID 3045340

Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-6-(naphthalenyl)-

Structural Information

Molecular Formula
C21H13N3O2S
SMILES
C1OC2=C(O1)C=C(C=C2)C3=NN4C=C(N=C4S3)C5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C21H13N3O2S/c1-2-6-15-13(4-1)5-3-7-16(15)17-11-24-21(22-17)27-20(23-24)14-8-9-18-19(10-14)26-12-25-18/h1-11H,12H2
InChIKey
HKHHTYXDILKRMK-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-6-naphthalen-1-ylimidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.07285 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.08013 179.1
[M+Na]+ 394.06207 197.8
[M+NH4]+ 389.10667 189.3
[M+K]+ 410.03601 192.7
[M-H]- 370.06557 188.5
[M+Na-2H]- 392.04752 187.4
[M]+ 371.07230 185.4
[M]- 371.07340 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.