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

literature stripe

Patent stripe

patents stripe