CID 469889

4,6-diamino-7-(phenoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

Structural Information

Molecular Formula
C14H14N6O2
SMILES
C1=CC=C(C=C1)OCN2C(=C(C3=C(N=CN=C32)N)C(=O)N)N
InChI
InChI=1S/C14H14N6O2/c15-11-9-10(13(17)21)12(16)20(14(9)19-6-18-11)7-22-8-4-2-1-3-5-8/h1-6H,7,16H2,(H2,17,21)(H2,15,18,19)
InChIKey
UVYRVXRIASMAGM-UHFFFAOYSA-N
Compound name
4,6-diamino-7-(phenoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.11783 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12511 165.4
[M+Na]+ 321.10705 175.0
[M-H]- 297.11055 169.5
[M+NH4]+ 316.15165 178.0
[M+K]+ 337.08099 170.1
[M+H-H2O]+ 281.11509 155.8
[M+HCOO]- 343.11603 188.6
[M+CH3COO]- 357.13168 176.5
[M+Na-2H]- 319.09250 170.0
[M]+ 298.11728 165.3
[M]- 298.11838 165.3
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.