CID 3078647

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

Structural Information

Molecular Formula
C11H14N4O2
SMILES
CN1C(=O)CC2=CN=C(N=C21)N3CCOCC3
InChI
InChI=1S/C11H14N4O2/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
XIQBPYFPLFTUKA-UHFFFAOYSA-N
Compound name
7-methyl-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

234.11168 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.118956 153.7
[M+Na]+ 257.100898 162.0
[M-H]- 233.104404 156.2
[M+NH4]+ 252.145503 167.3
[M+K]+ 273.074838 159.6
[M+H-H2O]+ 217.108940 143.9
[M+HCOO]- 279.109881 168.1
[M+CH3COO]- 293.125531 164.6
[M+Na-2H]- 255.086346 157.2
[M]+ 234.11113142 151.4
[M]- 234.11222858 151.4
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