CID 3043803

Jdl 169

Structural Information

Molecular Formula
C13H10ClN3O2S
SMILES
CC1=NS(=O)(=O)C2=C(N1C3=CC=C(C=C3)Cl)C=CN=C2
InChI
InChI=1S/C13H10ClN3O2S/c1-9-16-20(18,19)13-8-15-7-6-12(13)17(9)11-4-2-10(14)3-5-11/h2-8H,1H3
InChIKey
PTBIJGYLLOEXDP-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.01822 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.02550 162.2
[M+Na]+ 330.00744 175.5
[M-H]- 306.01094 166.8
[M+NH4]+ 325.05204 177.8
[M+K]+ 345.98138 169.0
[M+H-H2O]+ 290.01548 154.2
[M+HCOO]- 352.01642 172.5
[M+CH3COO]- 366.03207 174.3
[M+Na-2H]- 327.99289 168.2
[M]+ 307.01767 167.3
[M]- 307.01877 167.3
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.