CID 13051495

Brn 5599514

Structural Information

Molecular Formula
C12H15ClN4OS
SMILES
CN1CCN(CC1)C2C(=O)NC3=C(S2)N=C(C=C3)Cl
InChI
InChI=1S/C12H15ClN4OS/c1-16-4-6-17(7-5-16)12-10(18)14-8-2-3-9(13)15-11(8)19-12/h2-3,12H,4-7H2,1H3,(H,14,18)
InChIKey
XZHAGAKQGUUOIA-UHFFFAOYSA-N
Compound name
6-chloro-3-(4-methylpiperazin-1-yl)-1H-pyrido[2,3-b][1,4]thiazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.06552 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.07280 165.6
[M+Na]+ 321.05474 173.8
[M-H]- 297.05824 165.6
[M+NH4]+ 316.09934 177.2
[M+K]+ 337.02868 167.0
[M+H-H2O]+ 281.06278 157.0
[M+HCOO]- 343.06372 167.2
[M+CH3COO]- 357.07937 174.1
[M+Na-2H]- 319.04019 166.2
[M]+ 298.06497 162.3
[M]- 298.06607 162.3
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.