CID 488925

[4-azido-5-(6-dimethylamino-purin-9-yl)-tetrahydro-furan-2-yl]-methanol

Structural Information

Molecular Formula
C12H16N8O2
SMILES
CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@H](C[C@H](O3)CO)N=[N+]=[N-]
InChI
InChI=1S/C12H16N8O2/c1-19(2)10-9-11(15-5-14-10)20(6-16-9)12-8(17-18-13)3-7(4-21)22-12/h5-8,12,21H,3-4H2,1-2H3/t7-,8-,12+/m0/s1
InChIKey
UEPGUUUIOQHBOC-YVZVNANGSA-N
Compound name
[(2S,4S,5R)-4-azido-5-[6-(dimethylamino)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.13962 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14690 165.9
[M+Na]+ 327.12884 173.3
[M-H]- 303.13234 173.0
[M+NH4]+ 322.17344 178.5
[M+K]+ 343.10278 167.4
[M+H-H2O]+ 287.13688 159.9
[M+HCOO]- 349.13782 191.5
[M+CH3COO]- 363.15347 209.7
[M+Na-2H]- 325.11429 174.5
[M]+ 304.13907 166.3
[M]- 304.14017 166.3
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.