CID 476451

Yguzkiamfskfae-ivzwlzjfsa-n

Structural Information

Molecular Formula
C14H21N9O2
SMILES
CCCCNC1=C2C(=NC(=N1)N)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-]
InChI
InChI=1S/C14H21N9O2/c1-2-3-4-17-12-11-13(20-14(15)19-12)23(7-18-11)10-5-8(21-22-16)9(6-24)25-10/h7-10,24H,2-6H2,1H3,(H3,15,17,19,20)/t8-,9+,10+/m0/s1
InChIKey
YGUZKIAMFSKFAE-IVZWLZJFSA-N
Compound name
[(2S,3S,5R)-5-[2-amino-6-(butylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

347.18182 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.18910 175.7
[M+Na]+ 370.17104 182.0
[M-H]- 346.17454 181.0
[M+NH4]+ 365.21564 185.6
[M+K]+ 386.14498 174.0
[M+H-H2O]+ 330.17908 169.3
[M+HCOO]- 392.18002 200.5
[M+CH3COO]- 406.19567 218.1
[M+Na-2H]- 368.15649 183.7
[M]+ 347.18127 174.4
[M]- 347.18237 174.4
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.