CID 469888

4,6-diamino-7-[(2-methoxyethoxy)methyl]pyrrol[2,3-d]pyrimidine-5-carboxamide

Structural Information

Molecular Formula
C12H18N6O2
SMILES
COCCOCN1C(=C(C2=C(N=CN=C21)N)C(=C)N)N
InChI
InChI=1S/C12H18N6O2/c1-7(13)8-9-10(14)16-5-17-12(9)18(11(8)15)6-20-4-3-19-2/h5H,1,3-4,6,13,15H2,2H3,(H2,14,16,17)
InChIKey
MQQGXCLIMQCHSE-UHFFFAOYSA-N
Compound name
5-(1-aminoethenyl)-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.1491 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15638 162.9
[M+Na]+ 301.13832 172.2
[M-H]- 277.14182 163.5
[M+NH4]+ 296.18292 176.9
[M+K]+ 317.11226 168.5
[M+H-H2O]+ 261.14636 154.3
[M+HCOO]- 323.14730 185.5
[M+CH3COO]- 337.16295 208.3
[M+Na-2H]- 299.12377 165.8
[M]+ 278.14855 164.5
[M]- 278.14965 164.5
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.