CID 5271703

120386-10-9

Structural Information

Molecular Formula
C11H15N5O3
SMILES
COC(=N)C1=CN(C2=NC=NC(=C12)N)COCCO
InChI
InChI=1S/C11H15N5O3/c1-18-10(13)7-4-16(6-19-3-2-17)11-8(7)9(12)14-5-15-11/h4-5,13,17H,2-3,6H2,1H3,(H2,12,14,15)
InChIKey
VPPPKWLKHBZHCL-UHFFFAOYSA-N
Compound name
methyl 4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

265.1175 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 157.3
[M+Na]+ 288.10672 166.5
[M-H]- 264.11022 157.3
[M+NH4]+ 283.15132 171.7
[M+K]+ 304.08066 163.3
[M+H-H2O]+ 248.11476 149.0
[M+HCOO]- 310.11570 179.1
[M+CH3COO]- 324.13135 198.9
[M+Na-2H]- 286.09217 162.5
[M]+ 265.11695 160.3
[M]- 265.11805 160.3
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

No patent data available for this compound.