CID 3071337

Piperazine, 1-(1,4-benzodioxin-6-ylmethyl)-4-(1,3,4-thiadiazol-2-yl)-, dihydrochloride

Structural Information

Molecular Formula
C15H16N4O2S
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OC=CO3)C4=NN=CS4
InChI
InChI=1S/C15H16N4O2S/c1-2-13-14(21-8-7-20-13)9-12(1)10-18-3-5-19(6-4-18)15-17-16-11-22-15/h1-2,7-9,11H,3-6,10H2
InChIKey
BXHPDPWULFNMME-UHFFFAOYSA-N
Compound name
2-[4-(1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

316.0994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10668 169.5
[M+Na]+ 339.08862 183.9
[M+NH4]+ 334.13322 177.6
[M+K]+ 355.06256 177.2
[M-H]- 315.09212 176.5
[M+Na-2H]- 337.07407 176.0
[M]+ 316.09885 174.1
[M]- 316.09995 174.1
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

patents stripe