CID 208278

Thiazolo(4,5-d)pyrimidine-5,7(4h,6h)-dione, 4,6-dimethyl-2-(2-propenylamino)-

Structural Information

Molecular Formula
C10H12N4O2S
SMILES
CN1C2=C(C(=O)N(C1=O)C)SC(=N2)NCC=C
InChI
InChI=1S/C10H12N4O2S/c1-4-5-11-9-12-7-6(17-9)8(15)14(3)10(16)13(7)2/h4H,1,5H2,2-3H3,(H,11,12)
InChIKey
BULKNJNLDAUORC-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-(prop-2-enylamino)-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

252.0681 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.075376 153.0
[M+Na]+ 275.057318 167.1
[M-H]- 251.060824 155.6
[M+NH4]+ 270.101923 170.5
[M+K]+ 291.031258 161.8
[M+H-H2O]+ 235.065360 146.3
[M+HCOO]- 297.066301 172.1
[M+CH3COO]- 311.081951 196.0
[M+Na-2H]- 273.042766 155.8
[M]+ 252.06755142 160.1
[M]- 252.06864858 160.1
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