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 177.5
[M+Na]+ 360.11007 189.5
[M-H]- 336.11357 181.0
[M+NH4]+ 355.15467 193.4
[M+K]+ 376.08401 186.3
[M+H-H2O]+ 320.11811 170.8
[M+HCOO]- 382.11905 193.1
[M+CH3COO]- 396.13470 214.5
[M+Na-2H]- 358.09552 176.5
[M]+ 337.12030 187.1
[M]- 337.12140 187.1
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

No patent data available for this compound.