CID 135906664

12h-1,2,4-triazolo(4',3':1,6)pyridazino(4,5-b)(1,4)benzothiazine-3-thiol

Structural Information

Molecular Formula
C11H7N5S2
SMILES
C1=CC=C2C(=C1)NC3=C4N=NC(=S)N4NC=C3S2
InChI
InChI=1S/C11H7N5S2/c17-11-15-14-10-9-8(5-12-16(10)11)18-7-4-2-1-3-6(7)13-9/h1-5,12-13H
InChIKey
SYWMGKPPMXWAIE-UHFFFAOYSA-N
Compound name
2-thia-9,12,13,15,16-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3,5,7,10,12-hexaene-14-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.01428 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.02156 152.8
[M+Na]+ 296.00350 170.0
[M+NH4]+ 291.04810 161.7
[M+K]+ 311.97744 160.0
[M-H]- 272.00700 154.5
[M+Na-2H]- 293.98895 159.1
[M]+ 273.01373 156.8
[M]- 273.01483 156.8
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.