CID 25244345

2-acetamido-n-[(2s,4r)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide

Structural Information

Molecular Formula
C24H31N7O6
SMILES
CC(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC2[C@H](OC([C@@H]2O)N3C=NC4=C3N=CN=C4N(C)C)CO
InChI
InChI=1S/C24H31N7O6/c1-13(33)28-16(9-14-5-7-15(36-4)8-6-14)23(35)29-18-17(10-32)37-24(20(18)34)31-12-27-19-21(30(2)3)25-11-26-22(19)31/h5-8,11-12,16-18,20,24,32,34H,9-10H2,1-4H3,(H,28,33)(H,29,35)/t16?,17-,18?,20-,24?/m1/s1
InChIKey
LADKVYSQIGJMFP-CKHJIVCFSA-N
Compound name
2-acetamido-N-[(2S,4R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

513.2336 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.24088 219.4
[M+Na]+ 536.22282 226.0
[M+NH4]+ 531.26742 220.2
[M+K]+ 552.19676 229.2
[M-H]- 512.22632 221.9
[M+Na-2H]- 534.20827 220.5
[M]+ 513.23305 220.2
[M]- 513.23415 220.2
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

No patent data available for this compound.