CID 13338584

83898-41-3

Structural Information

Molecular Formula
C10H11N3S
SMILES
C1CN=C2N(C1)C3=C(S2)C=CC(=C3)N
InChI
InChI=1S/C10H11N3S/c11-7-2-3-9-8(6-7)13-5-1-4-12-10(13)14-9/h2-3,6H,1,4-5,11H2
InChIKey
QTXOVTCIKWLVOS-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

205.06737 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.074646 139.7
[M+Na]+ 228.056588 149.4
[M-H]- 204.060094 142.2
[M+NH4]+ 223.101193 160.5
[M+K]+ 244.030528 145.0
[M+H-H2O]+ 188.064630 133.4
[M+HCOO]- 250.065571 154.7
[M+CH3COO]- 264.081221 152.3
[M+Na-2H]- 226.042036 144.4
[M]+ 205.06682142 138.5
[M]- 205.06791858 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

No literature data available for this compound.

Patent stripe

patents stripe