CID 350611

2846-90-4

Structural Information

Molecular Formula
C5H4N4S
SMILES
C1=NC(=C2C(=N1)SC=N2)N
InChI
InChI=1S/C5H4N4S/c6-4-3-5(8-1-7-4)10-2-9-3/h1-2H,(H2,6,7,8)
InChIKey
XLQTXFKCBDQZSN-UHFFFAOYSA-N
Compound name
[1,3]thiazolo[5,4-d]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

107
Patents

152.01567 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02295 123.8
[M+Na]+ 175.00489 136.6
[M-H]- 151.00839 125.5
[M+NH4]+ 170.04949 144.6
[M+K]+ 190.97883 133.2
[M+H-H2O]+ 135.01293 117.3
[M+HCOO]- 197.01387 143.5
[M+CH3COO]- 211.02952 138.5
[M+Na-2H]- 172.99034 131.2
[M]+ 152.01512 126.1
[M]- 152.01622 126.1
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