CID 3075378

Morpholine, 4-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2h)-yl)acetyl)-

Structural Information

Molecular Formula
C14H17N5O4S
SMILES
CN1C2=C(C(=O)N(C1=O)CC(=O)N3CCOCC3)N4CCSC4=N2
InChI
InChI=1S/C14H17N5O4S/c1-16-11-10(18-4-7-24-13(18)15-11)12(21)19(14(16)22)8-9(20)17-2-5-23-6-3-17/h2-8H2,1H3
InChIKey
XGOIKZHUMROXDH-UHFFFAOYSA-N
Compound name
4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.10013 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.10741 179.2
[M+Na]+ 374.08935 190.6
[M-H]- 350.09285 183.2
[M+NH4]+ 369.13395 190.9
[M+K]+ 390.06329 187.4
[M+H-H2O]+ 334.09739 171.9
[M+HCOO]- 396.09833 188.7
[M+CH3COO]- 410.11398 189.4
[M+Na-2H]- 372.07480 177.0
[M]+ 351.09958 184.0
[M]- 351.10068 184.0
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.