CID 3064997

106163-62-6

Structural Information

Molecular Formula
C13H19N5O5
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC(=O)N(C)CC(CO)O
InChI
InChI=1S/C13H19N5O5/c1-16(5-7(20)6-19)9(21)4-8-14-10-11(15-8)17(2)13(23)18(3)12(10)22/h7,19-20H,4-6H2,1-3H3,(H,14,15)
InChIKey
NIVKQBLZRGGTBG-UHFFFAOYSA-N
Compound name
N-(2,3-dihydroxypropyl)-2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1386 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14588 172.6
[M+Na]+ 348.12782 182.5
[M-H]- 324.13132 171.2
[M+NH4]+ 343.17242 183.1
[M+K]+ 364.10176 179.4
[M+H-H2O]+ 308.13586 164.8
[M+HCOO]- 370.13680 189.0
[M+CH3COO]- 384.15245 208.6
[M+Na-2H]- 346.11327 173.2
[M]+ 325.13805 177.6
[M]- 325.13915 177.6
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

No patent data available for this compound.