CID 21961532

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

Structural Information

Molecular Formula
C7H8N2S
SMILES
C1CSC2=C(N1)C=NC=C2
InChI
InChI=1S/C7H8N2S/c1-2-8-5-6-7(1)10-4-3-9-6/h1-2,5,9H,3-4H2
InChIKey
SNEVQWCTDCALIL-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

152.04082 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.048096 126.3
[M+Na]+ 175.030038 134.2
[M-H]- 151.033544 126.5
[M+NH4]+ 170.074643 145.6
[M+K]+ 191.003978 130.5
[M+H-H2O]+ 135.038080 120.0
[M+HCOO]- 197.039021 139.5
[M+CH3COO]- 211.054671 138.6
[M+Na-2H]- 173.015486 133.4
[M]+ 152.04027142 123.0
[M]- 152.04136858 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