CID 3075381

Thiazolo(2,3-f)purine-3(2h)-acetamide, 1,4,6,7-tetrahydro-n,n-diethyl-2,4-dioxo-1-methyl-

Structural Information

Molecular Formula
C14H19N5O3S
SMILES
CCN(CC)C(=O)CN1C(=O)C2=C(N=C3N2CCS3)N(C1=O)C
InChI
InChI=1S/C14H19N5O3S/c1-4-17(5-2)9(20)8-19-12(21)10-11(16(3)14(19)22)15-13-18(10)6-7-23-13/h4-8H2,1-3H3
InChIKey
XRUQABCJTBQODM-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(4-methyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.12085 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.12813 178.2
[M+Na]+ 360.11007 188.6
[M+NH4]+ 355.15467 183.5
[M+K]+ 376.08401 185.9
[M-H]- 336.11357 177.3
[M+Na-2H]- 358.09552 179.0
[M]+ 337.12030 179.5
[M]- 337.12140 179.5
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.