CID 135409464

Schembl4245171

Structural Information

Molecular Formula
C12H15N5O5
SMILES
C1=C(C2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O)C(=N)N
InChI
InChI=1S/C12H15N5O5/c13-9(14)4-1-17(10-6(4)11(21)16-3-15-10)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H3,13,14)(H,15,16,21)/t5-,7-,8-,12-/m1/s1
InChIKey
CQVSGRBPWUXLOH-JTFADIMSSA-N
Compound name
7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

31
Patents

309.10733 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11461 167.3
[M+Na]+ 332.09655 175.9
[M-H]- 308.10005 168.3
[M+NH4]+ 327.14115 178.1
[M+K]+ 348.07049 172.1
[M+H-H2O]+ 292.10459 160.4
[M+HCOO]- 354.10553 182.9
[M+CH3COO]- 368.12118 202.0
[M+Na-2H]- 330.08200 167.1
[M]+ 309.10678 165.0
[M]- 309.10788 165.0
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.