CID 451958

D4san

Structural Information

Molecular Formula
C12H13N5O3
SMILES
C1=C[C@@H](O[C@@H]1CO)N2C=C(C3=C(N=CN=C32)N)C(=O)N
InChI
InChI=1S/C12H13N5O3/c13-10-9-7(11(14)19)3-17(12(9)16-5-15-10)8-2-1-6(4-18)20-8/h1-3,5-6,8,18H,4H2,(H2,14,19)(H2,13,15,16)/t6-,8+/m0/s1
InChIKey
CRSJTDZHYFSBQM-POYBYMJQSA-N
Compound name
4-amino-7-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

275.10184 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10912 159.2
[M+Na]+ 298.09106 168.8
[M-H]- 274.09456 163.3
[M+NH4]+ 293.13566 173.1
[M+K]+ 314.06500 166.0
[M+H-H2O]+ 258.09910 151.2
[M+HCOO]- 320.10004 179.8
[M+CH3COO]- 334.11569 170.9
[M+Na-2H]- 296.07651 161.3
[M]+ 275.10129 159.7
[M]- 275.10239 159.7
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.