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]+ 200.022126 138.0
[M+Na]+ 222.004068 149.8
[M-H]- 198.007574 137.7
[M+NH4]+ 217.048673 156.6
[M+K]+ 237.978008 145.4
[M+H-H2O]+ 182.012110 131.3
[M+HCOO]- 244.013051 152.8
[M+CH3COO]- 258.028701 179.2
[M+Na-2H]- 219.989516 143.4
[M]+ 199.01430142 140.0
[M]- 199.01539858 140.0
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