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 156.3
[M-H]- 263.02442 148.9
[M+NH4]+ 282.06552 162.4
[M+K]+ 302.99486 147.3
[M+H-H2O]+ 247.02896 145.9
[M+HCOO]- 309.02990 159.7
[M+CH3COO]- 323.04555 186.2
[M+Na-2H]- 285.00637 157.6
[M]+ 264.03115 144.9
[M]- 264.03225 144.9
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.