CID 15955042

4-amino-7-(2-deoxy-beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidin-5-carboxamidine

Structural Information

Molecular Formula
C12H16N6O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)N)C(=N)N)CO)O
InChI
InChI=1S/C12H16N6O3/c13-10(14)5-2-18(8-1-6(20)7(3-19)21-8)12-9(5)11(15)16-4-17-12/h2,4,6-8,19-20H,1,3H2,(H3,13,14)(H2,15,16,17)/t6-,7+,8+/m0/s1
InChIKey
WZENVZQCJZJKIF-XLPZGREQSA-N
Compound name
4-amino-7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.1284 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13568 164.2
[M+Na]+ 315.11762 172.3
[M-H]- 291.12112 167.1
[M+NH4]+ 310.16222 176.6
[M+K]+ 331.09156 169.0
[M+H-H2O]+ 275.12566 156.4
[M+HCOO]- 337.12660 182.9
[M+CH3COO]- 351.14225 174.4
[M+Na-2H]- 313.10307 165.1
[M]+ 292.12785 161.4
[M]- 292.12895 161.4
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.