CID 135723804

84245-12-5

Structural Information

Molecular Formula
C11H15N5O5
SMILES
CC(=O)NC1=NC2=C(C(=O)N1)N=CN2COC(CO)CO
InChI
InChI=1S/C11H15N5O5/c1-6(19)13-11-14-9-8(10(20)15-11)12-4-16(9)5-21-7(2-17)3-18/h4,7,17-18H,2-3,5H2,1H3,(H2,13,14,15,19,20)
InChIKey
WAXOOKOPOHWGBE-UHFFFAOYSA-N
Compound name
N-[9-(1,3-dihydroxypropan-2-yloxymethyl)-6-oxo-1H-purin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

297.10733 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 163.5
[M+Na]+ 320.09655 172.0
[M-H]- 296.10005 160.1
[M+NH4]+ 315.14115 173.9
[M+K]+ 336.07049 168.6
[M+H-H2O]+ 280.10459 155.2
[M+HCOO]- 342.10553 180.0
[M+CH3COO]- 356.12118 197.6
[M+Na-2H]- 318.08200 167.2
[M]+ 297.10678 166.4
[M]- 297.10788 166.4
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