CID 469896

Chembl115708

Structural Information

Molecular Formula
C11H13N5O2
SMILES
COCCOCN1C=C(C2=C(N=CN=C21)N)C#N
InChI
InChI=1S/C11H13N5O2/c1-17-2-3-18-7-16-5-8(4-12)9-10(13)14-6-15-11(9)16/h5-6H,2-3,7H2,1H3,(H2,13,14,15)
InChIKey
VSTZABSXPHVSOK-UHFFFAOYSA-N
Compound name
4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

247.10692 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11420 150.4
[M+Na]+ 270.09614 161.7
[M-H]- 246.09964 149.8
[M+NH4]+ 265.14074 164.3
[M+K]+ 286.07008 158.0
[M+H-H2O]+ 230.10418 134.8
[M+HCOO]- 292.10512 169.0
[M+CH3COO]- 306.12077 206.4
[M+Na-2H]- 268.08159 155.8
[M]+ 247.10637 149.5
[M]- 247.10747 149.5
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.