CID 461537

3'-amino-2',3'-dideoxynebularine

Structural Information

Molecular Formula
C10H11N7O2
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=CN=CN=C32)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H11N7O2/c11-16-15-6-1-9(19-8(6)3-18)17-5-14-7-2-12-4-13-10(7)17/h2,4-6,8-9,18H,1,3H2/t6-,8+,9+/m0/s1
InChIKey
ZRLPYLIEKDWIEE-NBEYISGCSA-N
Compound name
[(2S,3S,5R)-3-azido-5-purin-9-yloxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

261.0974 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10468 152.7
[M+Na]+ 284.08662 161.0
[M-H]- 260.09012 158.2
[M+NH4]+ 279.13122 166.5
[M+K]+ 300.06056 154.3
[M+H-H2O]+ 244.09466 147.1
[M+HCOO]- 306.09560 177.6
[M+CH3COO]- 320.11125 194.4
[M+Na-2H]- 282.07207 162.8
[M]+ 261.09685 151.5
[M]- 261.09795 151.5
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.