CID 495789

Nsc668356

Structural Information

Molecular Formula
C14H18N6O6
SMILES
CC(=NOC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C
InChI
InChI=1S/C14H18N6O6/c1-6(2)19-26-14(23)24-3-7-9(21)10(22)13(25-7)20-5-18-8-11(15)16-4-17-12(8)20/h4-5,7,9-10,13,21-22H,3H2,1-2H3,(H2,15,16,17)/t7-,9-,10-,13-/m1/s1
InChIKey
CUIQJIJPIXUCDY-QYVSTXNMSA-N
Compound name
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (propan-2-ylideneamino) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.12878 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.13606 180.4
[M+Na]+ 389.11800 188.1
[M-H]- 365.12150 183.7
[M+NH4]+ 384.16260 189.3
[M+K]+ 405.09194 187.4
[M+H-H2O]+ 349.12604 171.7
[M+HCOO]- 411.12698 197.8
[M+CH3COO]- 425.14263 216.5
[M+Na-2H]- 387.10345 180.4
[M]+ 366.12823 184.6
[M]- 366.12933 184.6
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.