CID 488926

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

Structural Information

Molecular Formula
C13H16N8O2
SMILES
C1CC1NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@H](C[C@H](O4)CO)N=[N+]=[N-]
InChI
InChI=1S/C13H16N8O2/c14-20-19-9-3-8(4-22)23-13(9)21-6-17-10-11(18-7-1-2-7)15-5-16-12(10)21/h5-9,13,22H,1-4H2,(H,15,16,18)/t8-,9-,13+/m0/s1
InChIKey
CPMSMAADBAUVAL-MWODSPESSA-N
Compound name
[(2S,4S,5R)-4-azido-5-[6-(cyclopropylamino)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.13962 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14690 168.7
[M+Na]+ 339.12884 177.6
[M-H]- 315.13234 177.4
[M+NH4]+ 334.17344 175.5
[M+K]+ 355.10278 167.4
[M+H-H2O]+ 299.13688 163.4
[M+HCOO]- 361.13782 193.4
[M+CH3COO]- 375.15347 210.2
[M+Na-2H]- 337.11429 177.2
[M]+ 316.13907 169.1
[M]- 316.14017 169.1
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.