CID 16076134

4-(cyclopentylamino)-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C17H21N5O4
SMILES
C1CCC(C1)NC2=C3C(=CN(C3=NC=N2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C#N
InChI
InChI=1S/C17H21N5O4/c18-5-9-6-22(17-14(25)13(24)11(7-23)26-17)16-12(9)15(19-8-20-16)21-10-3-1-2-4-10/h6,8,10-11,13-14,17,23-25H,1-4,7H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1
InChIKey
QTLDBANRGPUZKB-LSCFUAHRSA-N
Compound name
4-(cyclopentylamino)-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.15936 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.16664 177.1
[M+Na]+ 382.14858 185.8
[M-H]- 358.15208 179.5
[M+NH4]+ 377.19318 186.8
[M+K]+ 398.12252 180.0
[M+H-H2O]+ 342.15662 162.5
[M+HCOO]- 404.15756 188.7
[M+CH3COO]- 418.17321 184.5
[M+Na-2H]- 380.13403 174.0
[M]+ 359.15881 170.7
[M]- 359.15991 170.7
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.