CID 501514

[(2r,4r)-4-(2-amino-4-chloro-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C11H13ClN4O2
SMILES
C1[C@H](CO[C@H]1CO)N2C=CC3=C2N=C(N=C3Cl)N
InChI
InChI=1S/C11H13ClN4O2/c12-9-8-1-2-16(10(8)15-11(13)14-9)6-3-7(4-17)18-5-6/h1-2,6-7,17H,3-5H2,(H2,13,14,15)/t6-,7-/m1/s1
InChIKey
PPGLJVBFWAUYTE-RNFRBKRXSA-N
Compound name
[(2R,4R)-4-(2-amino-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.0727 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07998 158.2
[M+Na]+ 291.06192 169.2
[M-H]- 267.06542 161.8
[M+NH4]+ 286.10652 174.0
[M+K]+ 307.03586 164.8
[M+H-H2O]+ 251.06996 150.7
[M+HCOO]- 313.07090 173.1
[M+CH3COO]- 327.08655 170.2
[M+Na-2H]- 289.04737 160.3
[M]+ 268.07215 160.3
[M]- 268.07325 160.3
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.