CID 209049

5,6-dihydro-4,6-dimethyl-2-(1-oxide-4-pyridyl)-4h-1,3,4-thiadiazine hydrochloride

Structural Information

Molecular Formula
C10H13N3OS
SMILES
CC1CN([N+](=C(S1)C2=CC=NC=C2)[O-])C
InChI
InChI=1S/C10H13N3OS/c1-8-7-12(2)13(14)10(15-8)9-3-5-11-6-4-9/h3-6,8H,7H2,1-2H3
InChIKey
CFRYNKMTEMNCKD-UHFFFAOYSA-N
Compound name
4,6-dimethyl-3-oxido-2-pyridin-4-yl-5,6-dihydro-1,3,4-thiadiazin-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.07793 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08521 145.2
[M+Na]+ 246.06715 160.9
[M+NH4]+ 241.11175 154.0
[M+K]+ 262.04109 154.1
[M-H]- 222.07065 149.4
[M+Na-2H]- 244.05260 152.7
[M]+ 223.07738 149.1
[M]- 223.07848 149.1
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.