CID 469879

Chembl446672

Structural Information

Molecular Formula
C11H14N6O2
SMILES
COCCOCN1C(=C(C2=C(N=CN=C21)N)C#N)N
InChI
InChI=1S/C11H14N6O2/c1-18-2-3-19-6-17-10(14)7(4-12)8-9(13)15-5-16-11(8)17/h5H,2-3,6,14H2,1H3,(H2,13,15,16)
InChIKey
CLQXQQWKOGUSCI-UHFFFAOYSA-N
Compound name
4,6-diamino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

262.11783 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12511 155.1
[M+Na]+ 285.10705 166.1
[M-H]- 261.11055 154.4
[M+NH4]+ 280.15165 168.0
[M+K]+ 301.08099 162.6
[M+H-H2O]+ 245.11509 139.5
[M+HCOO]- 307.11603 174.0
[M+CH3COO]- 321.13168 211.7
[M+Na-2H]- 283.09250 159.3
[M]+ 262.11728 153.0
[M]- 262.11838 153.0
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

No patent data available for this compound.