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]+ 265.038976 149.1
[M+Na]+ 287.020918 156.3
[M-H]- 263.024424 148.9
[M+NH4]+ 282.065523 162.4
[M+K]+ 302.994858 147.3
[M+H-H2O]+ 247.028960 145.9
[M+HCOO]- 309.029901 159.7
[M+CH3COO]- 323.045551 186.2
[M+Na-2H]- 285.006366 157.6
[M]+ 264.03115142 144.9
[M]- 264.03224858 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.