CID 3062853

8-chloro-1-methyl-4h-(1,2,4)triazolo(3,4-c)(1,4)benzothiazine

Structural Information

Molecular Formula
C10H8ClN3S
SMILES
CC1=NN=C2N1C3=C(C=CC(=C3)Cl)SC2
InChI
InChI=1S/C10H8ClN3S/c1-6-12-13-10-5-15-9-3-2-7(11)4-8(9)14(6)10/h2-4H,5H2,1H3
InChIKey
PUQQAYVSXJOQRD-UHFFFAOYSA-N
Compound name
8-chloro-1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.01274 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02002 147.7
[M+Na]+ 260.00196 163.4
[M+NH4]+ 255.04656 158.1
[M+K]+ 275.97590 154.7
[M-H]- 236.00546 150.2
[M+Na-2H]- 257.98741 153.5
[M]+ 237.01219 151.5
[M]- 237.01329 151.5
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.