CID 13437776

Brn 4424651

Structural Information

Molecular Formula
C10H9N3S
SMILES
CC1=NN=C2N1C3=CC=CC=C3SC2
InChI
InChI=1S/C10H9N3S/c1-7-11-12-10-6-14-9-5-3-2-4-8(9)13(7)10/h2-5H,6H2,1H3
InChIKey
VMXDWLBNYXYBFD-UHFFFAOYSA-N
Compound name
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

203.05171 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05899 141.2
[M+Na]+ 226.04093 155.7
[M+NH4]+ 221.08553 151.4
[M+K]+ 242.01487 147.8
[M-H]- 202.04443 143.6
[M+Na-2H]- 224.02638 147.2
[M]+ 203.05116 144.5
[M]- 203.05226 144.5
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.