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

23
Patents

234.11168 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11896 153.7
[M+Na]+ 257.10090 162.0
[M-H]- 233.10440 156.2
[M+NH4]+ 252.14550 167.3
[M+K]+ 273.07484 159.6
[M+H-H2O]+ 217.10894 143.9
[M+HCOO]- 279.10988 168.1
[M+CH3COO]- 293.12553 164.6
[M+Na-2H]- 255.08635 157.2
[M]+ 234.11113 151.4
[M]- 234.11223 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