CID 6020

Puromycin aminonucleoside

Structural Information

Molecular Formula
C12H18N6O3
SMILES
CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N)O
InChI
InChI=1S/C12H18N6O3/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(20)7(13)6(3-19)21-12/h4-7,9,12,19-20H,3,13H2,1-2H3/t6-,7-,9-,12-/m1/s1
InChIKey
RYSMHWILUNYBFW-GRIPGOBMSA-N
Compound name
(2R,3R,4S,5S)-4-amino-2-[6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

948
References

1735
Patents

294.14404 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15132 166.5
[M+Na]+ 317.13326 175.8
[M-H]- 293.13676 169.8
[M+NH4]+ 312.17786 178.9
[M+K]+ 333.10720 173.7
[M+H-H2O]+ 277.14130 158.0
[M+HCOO]- 339.14224 184.8
[M+CH3COO]- 353.15789 177.4
[M+Na-2H]- 315.11871 167.7
[M]+ 294.14349 168.2
[M]- 294.14459 168.2
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