CID 25200472

Isopentenyladenine-9-n-glucoside

Structural Information

Molecular Formula
C16H23N5O5
SMILES
CC(=CCNC1=C2C(=NC=N1)N(C=N2)[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C
InChI
InChI=1S/C16H23N5O5/c1-8(2)3-4-17-14-10-15(19-6-18-14)21(7-20-10)16-13(25)12(24)11(23)9(5-22)26-16/h3,6-7,9,11-13,16,22-25H,4-5H2,1-2H3,(H,17,18,19)/t9-,11-,12+,13-,16+/m1/s1
InChIKey
XEHLLUQVSRLWMH-HMXKMONRSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[6-(3-methylbut-2-enylamino)purin-9-yl]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

365.16992 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17720 187.9
[M+Na]+ 388.15914 196.9
[M+NH4]+ 383.20374 190.2
[M+K]+ 404.13308 196.7
[M-H]- 364.16264 187.5
[M+Na-2H]- 386.14459 187.3
[M]+ 365.16937 188.4
[M]- 365.17047 188.4
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