CID 5274102

(2r,3r,4s,5s)-5-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-4-bromo-2-(hydroxymethyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C11H13BrN4O3
SMILES
C1=C(C2=C(N1)C(=NC=N2)N)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)Br
InChI
InChI=1S/C11H13BrN4O3/c12-6-9(18)5(2-17)19-10(6)4-1-14-8-7(4)15-3-16-11(8)13/h1,3,5-6,9-10,14,17-18H,2H2,(H2,13,15,16)/t5-,6+,9-,10+/m1/s1
InChIKey
MRSWFPRHZLAGJI-FXUQCPSJSA-N
Compound name
(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4-bromo-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0171 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.02438 165.5
[M+Na]+ 351.00632 177.8
[M-H]- 327.00982 169.7
[M+NH4]+ 346.05092 180.7
[M+K]+ 366.98026 166.1
[M+H-H2O]+ 311.01436 164.4
[M+HCOO]- 373.01530 180.3
[M+CH3COO]- 387.03095 177.8
[M+Na-2H]- 348.99177 167.8
[M]+ 328.01655 182.4
[M]- 328.01765 182.4
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.