CID 3044932

Brn 0591237

Structural Information

Molecular Formula
C17H18N6O4
SMILES
C1=CC=C(C=C1)CNC(=O)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O
InChI
InChI=1S/C17H18N6O4/c18-14-10-15(21-7-20-14)23(8-22-10)17-12(25)11(24)13(27-17)16(26)19-6-9-4-2-1-3-5-9/h1-5,7-8,11-13,17,24-25H,6H2,(H,19,26)(H2,18,20,21)/t11-,12+,13-,17+/m0/s1
InChIKey
VDAITUUOENAMKK-PFHKOEEOSA-N
Compound name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-benzyl-3,4-dihydroxyoxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

370.13895 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14623 184.5
[M+Na]+ 393.12817 194.9
[M+NH4]+ 388.17277 188.4
[M+K]+ 409.10211 195.8
[M-H]- 369.13167 187.9
[M+Na-2H]- 391.11362 188.4
[M]+ 370.13840 186.4
[M]- 370.13950 186.4
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

patents stripe