CID 3071998

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

Structural Information

Molecular Formula
C10H9N3OS
SMILES
C1C(=O)NN=C2N1C3=CC=CC=C3SC2
InChI
InChI=1S/C10H9N3OS/c14-10-5-13-7-3-1-2-4-8(7)15-6-9(13)11-12-10/h1-4H,5-6H2,(H,12,14)
InChIKey
AFDGSSYOMVDLLR-UHFFFAOYSA-N
Compound name
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

3
Patents

219.04663 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05391 143.2
[M+Na]+ 242.03585 152.1
[M-H]- 218.03935 142.7
[M+NH4]+ 237.08045 159.5
[M+K]+ 258.00979 146.8
[M+H-H2O]+ 202.04389 135.7
[M+HCOO]- 264.04483 152.9
[M+CH3COO]- 278.06048 154.0
[M+Na-2H]- 240.02130 149.7
[M]+ 219.04608 140.5
[M]- 219.04718 140.5
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

patents stripe