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

23
Patents

250.08884 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09612 156.2
[M+Na]+ 273.07806 165.2
[M-H]- 249.08156 158.4
[M+NH4]+ 268.12266 171.6
[M+K]+ 289.05200 161.0
[M+H-H2O]+ 233.08610 147.7
[M+HCOO]- 295.08704 166.8
[M+CH3COO]- 309.10269 166.9
[M+Na-2H]- 271.06351 156.5
[M]+ 250.08829 154.7
[M]- 250.08939 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