CID 3055697

72758-49-7

Structural Information

Molecular Formula
C23H24N6O6
SMILES
C1=CC=C2C(=C1)C=CC=C2OCC(CNC(=O)[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O
InChI
InChI=1S/C23H24N6O6/c24-20-16-21(27-10-26-20)29(11-28-16)23-18(32)17(31)19(35-23)22(33)25-8-13(30)9-34-15-7-3-5-12-4-1-2-6-14(12)15/h1-7,10-11,13,17-19,23,30-32H,8-9H2,(H,25,33)(H2,24,26,27)/t13?,17-,18+,19-,23+/m0/s1
InChIKey
UOCLKQFGFLWNJV-OCUQTMKUSA-N
Compound name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)oxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.17572 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.18300 204.8
[M+Na]+ 503.16494 209.9
[M-H]- 479.16844 209.5
[M+NH4]+ 498.20954 207.9
[M+K]+ 519.13888 206.7
[M+H-H2O]+ 463.17298 195.2
[M+HCOO]- 525.17392 216.8
[M+CH3COO]- 539.18957 211.0
[M+Na-2H]- 501.15039 204.5
[M]+ 480.17517 206.4
[M]- 480.17627 206.4
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.