CID 469894

Chembl115689

Structural Information

Molecular Formula
C13H18N6O2
SMILES
CN(C)C1=C(C2=C(N=CN=C2N1COCCOC)N)C#N
InChI
InChI=1S/C13H18N6O2/c1-18(2)13-9(6-14)10-11(15)16-7-17-12(10)19(13)8-21-5-4-20-3/h7H,4-5,8H2,1-3H3,(H2,15,16,17)
InChIKey
QHGBUOBRXPRTLE-UHFFFAOYSA-N
Compound name
4-amino-6-(dimethylamino)-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.1491 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.15638 163.0
[M+Na]+ 313.13832 173.2
[M-H]- 289.14182 163.6
[M+NH4]+ 308.18292 175.6
[M+K]+ 329.11226 170.7
[M+H-H2O]+ 273.14636 146.8
[M+HCOO]- 335.14730 182.2
[M+CH3COO]- 349.16295 220.4
[M+Na-2H]- 311.12377 166.5
[M]+ 290.14855 163.4
[M]- 290.14965 163.4
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.