CID 457015

(1s,2r,3s,4r)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2,3-triol

Structural Information

Molecular Formula
C10H14N6O3
SMILES
C1[C@H]([C@@H]([C@@H]([C@H]1O)O)O)N2C=NC3=C(N=C(N=C32)N)N
InChI
InChI=1S/C10H14N6O3/c11-8-5-9(15-10(12)14-8)16(2-13-5)3-1-4(17)7(19)6(3)18/h2-4,6-7,17-19H,1H2,(H4,11,12,14,15)/t3-,4+,6+,7-/m1/s1
InChIKey
YJWZBNRNMCTXGR-LPWJYYESSA-N
Compound name
(1S,2R,3S,4R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.11273 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12001 157.4
[M+Na]+ 289.10195 167.7
[M-H]- 265.10545 157.7
[M+NH4]+ 284.14655 170.9
[M+K]+ 305.07589 163.1
[M+H-H2O]+ 249.10999 149.9
[M+HCOO]- 311.11093 174.7
[M+CH3COO]- 325.12658 168.0
[M+Na-2H]- 287.08740 158.0
[M]+ 266.11218 154.5
[M]- 266.11328 154.5
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.