CID 6603967

Pd 404,182

Structural Information

Molecular Formula
C11H11N3S
SMILES
C1CN=C2C3=CC=CC=C3SC(=N)N2C1
InChI
InChI=1S/C11H11N3S/c12-11-14-7-3-6-13-10(14)8-4-1-2-5-9(8)15-11/h1-2,4-5,12H,3,6-7H2
InChIKey
JNENSSREQFBZGT-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

22
Patents

217.06737 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.074646 141.7
[M+Na]+ 240.056588 149.8
[M-H]- 216.060094 143.8
[M+NH4]+ 235.101193 159.9
[M+K]+ 256.030528 144.7
[M+H-H2O]+ 200.064630 134.3
[M+HCOO]- 262.065571 154.6
[M+CH3COO]- 276.081221 153.2
[M+Na-2H]- 238.042036 148.9
[M]+ 217.06682142 138.5
[M]- 217.06791858 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe