CID 15957699

Schembl20938197

Structural Information

Molecular Formula
C11H11BrN4O2
SMILES
C1=C[C@@H](O[C@@H]1CO)N2C=C(C3=C(N=CN=C32)N)Br
InChI
InChI=1S/C11H11BrN4O2/c12-7-3-16(8-2-1-6(4-17)18-8)11-9(7)10(13)14-5-15-11/h1-3,5-6,8,17H,4H2,(H2,13,14,15)/t6-,8+/m0/s1
InChIKey
CFPYGIVBFFSHQF-POYBYMJQSA-N
Compound name
[(2S,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-2,5-dihydrofuran-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

310.00653 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.01381 160.1
[M+Na]+ 332.99575 173.9
[M-H]- 308.99925 166.9
[M+NH4]+ 328.04035 177.3
[M+K]+ 348.96969 163.1
[M+H-H2O]+ 293.00379 158.8
[M+HCOO]- 355.00473 179.1
[M+CH3COO]- 369.02038 174.2
[M+Na-2H]- 330.98120 164.8
[M]+ 310.00598 180.1
[M]- 310.00708 180.1
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

patents stripe