CID 3078649

7-methyl-2-(4-thiomorpholinyl)-5,7-dihydro-6h-pyrrolo(2,3-d)pyrimidin-6-one

Structural Information

Molecular Formula
C11H14N4OS
SMILES
CN1C(=O)CC2=CN=C(N=C21)N3CCSCC3
InChI
InChI=1S/C11H14N4OS/c1-14-9(16)6-8-7-12-11(13-10(8)14)15-2-4-17-5-3-15/h7H,2-6H2,1H3
InChIKey
PCBPPXGRVRJWPY-UHFFFAOYSA-N
Compound name
7-methyl-2-thiomorpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

250.08884 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.096116 156.2
[M+Na]+ 273.078058 165.2
[M-H]- 249.081564 158.4
[M+NH4]+ 268.122663 171.6
[M+K]+ 289.051998 161.0
[M+H-H2O]+ 233.086100 147.7
[M+HCOO]- 295.087041 166.8
[M+CH3COO]- 309.102691 166.9
[M+Na-2H]- 271.063506 156.5
[M]+ 250.08829142 154.7
[M]- 250.08938858 154.7
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

patents stripe