CID 10820751

1h,2h,3h-pyrido[2,3-b][1,4]thiazine

Structural Information

Molecular Formula
C7H8N2S
SMILES
C1CSC2=C(N1)C=CC=N2
InChI
InChI=1S/C7H8N2S/c1-2-6-7(9-3-1)10-5-4-8-6/h1-3,8H,4-5H2
InChIKey
DQOOELMGDDSIBB-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

152.04082 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04810 126.3
[M+Na]+ 175.03004 134.2
[M-H]- 151.03354 126.5
[M+NH4]+ 170.07464 145.6
[M+K]+ 191.00398 130.5
[M+H-H2O]+ 135.03808 120.0
[M+HCOO]- 197.03902 139.5
[M+CH3COO]- 211.05467 138.6
[M+Na-2H]- 173.01549 133.4
[M]+ 152.04027 123.0
[M]- 152.04137 123.0
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

patents stripe