CID 379273

Nsc663779

Structural Information

Molecular Formula
C8H9N5S
SMILES
C=CCNC1=NC2=C(N=CN=C2S1)N
InChI
InChI=1S/C8H9N5S/c1-2-3-10-8-13-5-6(9)11-4-12-7(5)14-8/h2,4H,1,3H2,(H,10,13)(H2,9,11,12)
InChIKey
KWZGFNXRPUIMRL-UHFFFAOYSA-N
Compound name
2-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.05786 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.065136 140.0
[M+Na]+ 230.047078 151.6
[M-H]- 206.050584 141.4
[M+NH4]+ 225.091683 158.3
[M+K]+ 246.021018 146.6
[M+H-H2O]+ 190.055120 132.7
[M+HCOO]- 252.056061 159.7
[M+CH3COO]- 266.071711 153.1
[M+Na-2H]- 228.032526 145.9
[M]+ 207.05731142 142.3
[M]- 207.05840858 142.3
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.