CID 3065176

Brn 5589371

Structural Information

Molecular Formula
C13H12N4O2S
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3S(=O)(=O)N=C2NN
InChI
InChI=1S/C13H12N4O2S/c14-15-13-16-20(18,19)12-9-5-4-8-11(12)17(13)10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
InChIKey
SEYMLDDMBGJEKN-UHFFFAOYSA-N
Compound name
(1,1-dioxo-4-phenyl-1lambda6,2,4-benzothiadiazin-3-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07536 160.0
[M+Na]+ 311.05730 170.2
[M-H]- 287.06080 165.0
[M+NH4]+ 306.10190 175.7
[M+K]+ 327.03124 164.4
[M+H-H2O]+ 271.06534 151.6
[M+HCOO]- 333.06628 177.6
[M+CH3COO]- 347.08193 171.5
[M+Na-2H]- 309.04275 167.9
[M]+ 288.06753 160.1
[M]- 288.06863 160.1
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.