CID 273013

34625-14-4

Structural Information

Molecular Formula
C13H17N5O5S
SMILES
CSC1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C(=O)N
InChI
InChI=1S/C13H17N5O5S/c1-24-13-6(10(15)22)5-9(14)16-3-17-11(5)18(13)12-8(21)7(20)4(2-19)23-12/h3-4,7-8,12,19-21H,2H2,1H3,(H2,15,22)(H2,14,16,17)
InChIKey
QLVABAJMLVLHHE-UHFFFAOYSA-N
Compound name
4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.09503 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.10231 178.8
[M+Na]+ 378.08425 188.2
[M-H]- 354.08775 180.7
[M+NH4]+ 373.12885 189.3
[M+K]+ 394.05819 184.6
[M+H-H2O]+ 338.09229 173.0
[M+HCOO]- 400.09323 190.1
[M+CH3COO]- 414.10888 211.9
[M+Na-2H]- 376.06970 175.3
[M]+ 355.09448 181.3
[M]- 355.09558 181.3
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.