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]+ 352.107406 179.2
[M+Na]+ 374.089348 190.6
[M-H]- 350.092854 183.2
[M+NH4]+ 369.133953 190.9
[M+K]+ 390.063288 187.4
[M+H-H2O]+ 334.097390 171.9
[M+HCOO]- 396.098331 188.7
[M+CH3COO]- 410.113981 189.4
[M+Na-2H]- 372.074796 177.0
[M]+ 351.09958142 184.0
[M]- 351.10067858 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.