CID 135427290

Acetamide,n-[9-[[2-(acetyloxy)-1-[(acetyloxy)methyl]ethoxy]methyl]-6,9-dihydro-6-oxo-1h-purin-2-yl]-

Structural Information

Molecular Formula
C15H19N5O7
SMILES
CC(=O)NC1=NC2=C(C(=O)N1)N=CN2COC(COC(=O)C)COC(=O)C
InChI
InChI=1S/C15H19N5O7/c1-8(21)17-15-18-13-12(14(24)19-15)16-6-20(13)7-27-11(4-25-9(2)22)5-26-10(3)23/h6,11H,4-5,7H2,1-3H3,(H2,17,18,19,21,24)
InChIKey
PEZKHGVZZSQDPY-UHFFFAOYSA-N
Compound name
[2-[(2-acetamido-6-oxo-1H-purin-9-yl)methoxy]-3-acetyloxypropyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

53
Patents

381.12845 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.13573 182.1
[M+Na]+ 404.11767 189.2
[M-H]- 380.12117 181.1
[M+NH4]+ 399.16227 190.0
[M+K]+ 420.09161 188.1
[M+H-H2O]+ 364.12571 173.0
[M+HCOO]- 426.12665 199.0
[M+CH3COO]- 440.14230 217.2
[M+Na-2H]- 402.10312 183.2
[M]+ 381.12790 190.0
[M]- 381.12900 190.0
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