CID 5274101

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

Structural Information

Molecular Formula
C11H13IN4O3
SMILES
C1=C(C2=C(N1)C(=NC=N2)N)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)I
InChI
InChI=1S/C11H13IN4O3/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
SIWLFAMNLGHBOX-FXUQCPSJSA-N
Compound name
(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)-4-iodooxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.00323 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.01051 166.0
[M+Na]+ 398.99245 168.7
[M-H]- 374.99595 160.9
[M+NH4]+ 394.03705 175.1
[M+K]+ 414.96639 170.5
[M+H-H2O]+ 359.00049 155.5
[M+HCOO]- 421.00143 177.9
[M+CH3COO]- 435.01708 172.6
[M+Na-2H]- 396.97790 155.7
[M]+ 376.00268 162.1
[M]- 376.00378 162.1
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.