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 140.4
[M+Na]+ 226.04093 152.0
[M-H]- 202.04443 142.5
[M+NH4]+ 221.08553 160.6
[M+K]+ 242.01487 147.8
[M+H-H2O]+ 186.04897 133.5
[M+HCOO]- 248.04991 155.1
[M+CH3COO]- 262.06556 153.6
[M+Na-2H]- 224.02638 145.8
[M]+ 203.05116 142.6
[M]- 203.05226 142.6
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.