CID 231725

Nsc28392

Structural Information

Molecular Formula
C14H20N4O2S
SMILES
CN1C2=C(C(=O)N(C1=O)C)N=C(S2)NCC3CCCCC3
InChI
InChI=1S/C14H20N4O2S/c1-17-11(19)10-12(18(2)14(17)20)21-13(16-10)15-8-9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H,15,16)
InChIKey
RPFNTJJRMTYYQO-UHFFFAOYSA-N
Compound name
2-(cyclohexylmethylamino)-4,6-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1307 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13798 169.6
[M+Na]+ 331.11992 180.0
[M-H]- 307.12342 174.1
[M+NH4]+ 326.16452 184.3
[M+K]+ 347.09386 174.5
[M+H-H2O]+ 291.12796 161.5
[M+HCOO]- 353.12890 184.6
[M+CH3COO]- 367.14455 180.7
[M+Na-2H]- 329.10537 170.3
[M]+ 308.13015 172.2
[M]- 308.13125 172.2
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.