CID 216615

37489-37-5

Structural Information

Molecular Formula
C7H6ClN3S
SMILES
C1C(=NC2=C(S1)N=C(C=C2)Cl)N
InChI
InChI=1S/C7H6ClN3S/c8-5-2-1-4-7(11-5)12-3-6(9)10-4/h1-2H,3H2,(H2,9,10)
InChIKey
XEPICHAJWHTWLU-UHFFFAOYSA-N
Compound name
6-chloro-3H-pyrido[2,3-b][1,4]thiazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.9971 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.004376 134.6
[M+Na]+ 221.986318 145.4
[M-H]- 197.989824 136.4
[M+NH4]+ 217.030923 153.6
[M+K]+ 237.960258 140.2
[M+H-H2O]+ 181.994360 128.8
[M+HCOO]- 243.995301 146.3
[M+CH3COO]- 258.010951 147.5
[M+Na-2H]- 219.971766 140.7
[M]+ 198.99655142 135.4
[M]- 198.99764858 135.4
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.