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]+ 208.06514 140.0
[M+Na]+ 230.04708 151.6
[M-H]- 206.05058 141.4
[M+NH4]+ 225.09168 158.3
[M+K]+ 246.02102 146.6
[M+H-H2O]+ 190.05512 132.7
[M+HCOO]- 252.05606 159.7
[M+CH3COO]- 266.07171 153.1
[M+Na-2H]- 228.03253 145.9
[M]+ 207.05731 142.3
[M]- 207.05841 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.