CID 59419276

4-chloro-2-methoxy-5h,6h,7h-pyrrolo[2,3-d]pyrimidin-6-one

Structural Information

Molecular Formula
C7H6ClN3O2
SMILES
COC1=NC2=C(CC(=O)N2)C(=N1)Cl
InChI
InChI=1S/C7H6ClN3O2/c1-13-7-10-5(8)3-2-4(12)9-6(3)11-7/h2H2,1H3,(H,9,10,11,12)
InChIKey
FGKVVZSUPFZMOB-UHFFFAOYSA-N
Compound name
4-chloro-2-methoxy-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

199.01485 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.02213 137.4
[M+Na]+ 222.00407 150.6
[M+NH4]+ 217.04867 144.9
[M+K]+ 237.97801 146.7
[M-H]- 198.00757 136.8
[M+Na-2H]- 219.98952 141.8
[M]+ 199.01430 139.1
[M]- 199.01540 139.1
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