CID 15955460

N'-(4-methyl-1,1-dioxo-1$l^{6},2,4-benzothiadiazin-3-yl)pyridine-3-carbohydrazide

Structural Information

Molecular Formula
C14H13N5O3S
SMILES
CN1C2=CC=CC=C2S(=O)(=O)N=C1NNC(=O)C3=CN=CC=C3
InChI
InChI=1S/C14H13N5O3S/c1-19-11-6-2-3-7-12(11)23(21,22)18-14(19)17-16-13(20)10-5-4-8-15-9-10/h2-9H,1H3,(H,16,20)(H,17,18)
InChIKey
FNBBLXXRXPAZJJ-UHFFFAOYSA-N
Compound name
N'-(4-methyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-yl)pyridine-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.0739 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.08118 171.1
[M+Na]+ 354.06312 180.6
[M-H]- 330.06662 175.2
[M+NH4]+ 349.10772 183.7
[M+K]+ 370.03706 175.4
[M+H-H2O]+ 314.07116 162.0
[M+HCOO]- 376.07210 187.0
[M+CH3COO]- 390.08775 181.4
[M+Na-2H]- 352.04857 178.8
[M]+ 331.07335 172.8
[M]- 331.07445 172.8
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.