CID 469887

Chembl116145

Structural Information

Molecular Formula
C10H14N6O2
SMILES
CCOCN1C(=C(C2=C(N=CN=C21)N)C(=O)N)N
InChI
InChI=1S/C10H14N6O2/c1-2-18-4-16-8(12)6(9(13)17)5-7(11)14-3-15-10(5)16/h3H,2,4,12H2,1H3,(H2,13,17)(H2,11,14,15)
InChIKey
XSIVWMZRTYXSLI-UHFFFAOYSA-N
Compound name
4,6-diamino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.11783 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12511 154.2
[M+Na]+ 273.10705 164.4
[M-H]- 249.11055 155.1
[M+NH4]+ 268.15165 169.3
[M+K]+ 289.08099 161.0
[M+H-H2O]+ 233.11509 145.9
[M+HCOO]- 295.11603 177.4
[M+CH3COO]- 309.13168 202.3
[M+Na-2H]- 271.09250 158.1
[M]+ 250.11728 155.0
[M]- 250.11838 155.0
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

No patent data available for this compound.