CID 325860

63479-78-7

Structural Information

Molecular Formula
C9H8N6O2S
SMILES
C1=CC=C(C=C1)N2N=C3C(=NS(=O)(=O)NC3=N2)N
InChI
InChI=1S/C9H8N6O2S/c10-8-7-9(14-18(16,17)13-8)12-15(11-7)6-4-2-1-3-5-6/h1-5H,(H2,10,13)(H,12,14)
InChIKey
VDPZCDIUHDBRIP-UHFFFAOYSA-N
Compound name
5,5-dioxo-2-phenyl-4H-triazolo[4,5-c][1,2,6]thiadiazin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.04294 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.05022 154.1
[M+Na]+ 287.03216 166.9
[M-H]- 263.03566 155.0
[M+NH4]+ 282.07676 168.4
[M+K]+ 303.00610 160.9
[M+H-H2O]+ 247.04020 146.2
[M+HCOO]- 309.04114 167.7
[M+CH3COO]- 323.05679 165.4
[M+Na-2H]- 285.01761 159.5
[M]+ 264.04239 154.4
[M]- 264.04349 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.