CID 3072000

(1,2,4)triazino(3,4-c)(1,4)benzothiazin-2(1h)-one, 3,5-dihydro-7-nitro-

Structural Information

Molecular Formula
C10H8N4O3S
SMILES
C1C(=O)NN=C2N1C3=C(C(=CC=C3)[N+](=O)[O-])SC2
InChI
InChI=1S/C10H8N4O3S/c15-9-4-13-6-2-1-3-7(14(16)17)10(6)18-5-8(13)11-12-9/h1-3H,4-5H2,(H,12,15)
InChIKey
SAUMUGICNXCHAR-UHFFFAOYSA-N
Compound name
7-nitro-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

264.0317 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03898 149.1
[M+Na]+ 287.02092 162.3
[M+NH4]+ 282.06552 156.9
[M+K]+ 302.99486 157.3
[M-H]- 263.02442 151.2
[M+Na-2H]- 285.00637 153.3
[M]+ 264.03115 151.7
[M]- 264.03225 151.7
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.