CID 3072001

3,5-dihydro-5-methyl-(1,2,4)triazino(3,4-c)(1,4)benzothiazin-2(1h)-one

Structural Information

Molecular Formula
C11H11N3OS
SMILES
CC1C2=NNC(=O)CN2C3=CC=CC=C3S1
InChI
InChI=1S/C11H11N3OS/c1-7-11-13-12-10(15)6-14(11)8-4-2-3-5-9(8)16-7/h2-5,7H,6H2,1H3,(H,12,15)
InChIKey
QSTDYUOTEGBUHI-UHFFFAOYSA-N
Compound name
5-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.06229 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.06957 149.6
[M+Na]+ 256.05151 163.3
[M+NH4]+ 251.09611 158.6
[M+K]+ 272.02545 154.2
[M-H]- 232.05501 151.3
[M+Na-2H]- 254.03696 154.2
[M]+ 233.06174 152.5
[M]- 233.06284 152.5
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.