CID 378579

Nsc661219

Structural Information

Molecular Formula
C11H12N6S2
SMILES
CN1CCN(CC1)C2=CC3=NSN=C3C4=NSN=C24
InChI
InChI=1S/C11H12N6S2/c1-16-2-4-17(5-3-16)8-6-7-9(13-18-12-7)11-10(8)14-19-15-11/h6H,2-5H2,1H3
InChIKey
OYFVVUBBSAJXEW-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)-[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0565 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06378 159.0
[M+Na]+ 315.04572 174.0
[M-H]- 291.04922 161.7
[M+NH4]+ 310.09032 174.3
[M+K]+ 331.01966 168.3
[M+H-H2O]+ 275.05376 152.7
[M+HCOO]- 337.05470 167.5
[M+CH3COO]- 351.07035 170.8
[M+Na-2H]- 313.03117 159.8
[M]+ 292.05595 163.7
[M]- 292.05705 163.7
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.