CID 3011824

(2r,3s)-4-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C10H14N6O3
SMILES
C1C([C@@H]([C@H](O1)CO)O)N2C=NC3=C(N=C(N=C32)N)N
InChI
InChI=1S/C10H14N6O3/c11-8-6-9(15-10(12)14-8)16(3-13-6)4-2-19-5(1-17)7(4)18/h3-5,7,17-18H,1-2H2,(H4,11,12,14,15)/t4?,5-,7+/m1/s1
InChIKey
SOWPZOOVRIBOBY-POZMTGOASA-N
Compound name
(2R,3S)-4-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.11273 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12001 157.4
[M+Na]+ 289.10195 167.5
[M-H]- 265.10545 159.1
[M+NH4]+ 284.14655 170.0
[M+K]+ 305.07589 164.2
[M+H-H2O]+ 249.10999 149.4
[M+HCOO]- 311.11093 175.3
[M+CH3COO]- 325.12658 168.4
[M+Na-2H]- 287.08740 159.4
[M]+ 266.11218 156.4
[M]- 266.11328 156.4
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.