CID 16076138

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

Structural Information

Molecular Formula
C15H19N5O4
SMILES
CC(C)NC1=C2C(=CN(C2=NC=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C#N
InChI
InChI=1S/C15H19N5O4/c1-7(2)19-13-10-8(3-16)4-20(14(10)18-6-17-13)15-12(23)11(22)9(5-21)24-15/h4,6-7,9,11-12,15,21-23H,5H2,1-2H3,(H,17,18,19)/t9-,11-,12-,15-/m1/s1
InChIKey
XGPFKXUHZJTRIO-SDBHATRESA-N
Compound name
7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(propan-2-ylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.1437 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15098 174.3
[M+Na]+ 356.13292 183.9
[M-H]- 332.13642 174.3
[M+NH4]+ 351.17752 183.8
[M+K]+ 372.10686 179.8
[M+H-H2O]+ 316.14096 159.6
[M+HCOO]- 378.14190 186.1
[M+CH3COO]- 392.15755 217.0
[M+Na-2H]- 354.11837 173.0
[M]+ 333.14315 170.3
[M]- 333.14425 170.3
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.