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

literature stripe

Patent stripe

patents stripe