CID 135524653

N-[8-(2,3-dihydroxypropyl)-4-oxo-3h-imidazo[1,5-a][1,3,5]triazin-2-yl]acetamide

Structural Information

Molecular Formula
C10H13N5O4
SMILES
CC(=O)NC1=NC2=C(N=CN2C(=O)N1)CC(CO)O
InChI
InChI=1S/C10H13N5O4/c1-5(17)12-9-13-8-7(2-6(18)3-16)11-4-15(8)10(19)14-9/h4,6,16,18H,2-3H2,1H3,(H2,12,13,14,17,19)
InChIKey
RJKYFNVYUBUSQM-UHFFFAOYSA-N
Compound name
N-[8-(2,3-dihydroxypropyl)-4-oxo-3H-imidazo[1,5-a][1,3,5]triazin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.09674 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.104016 157.4
[M+Na]+ 290.085958 166.8
[M-H]- 266.089464 154.2
[M+NH4]+ 285.130563 169.2
[M+K]+ 306.059898 162.8
[M+H-H2O]+ 250.094000 149.5
[M+HCOO]- 312.094941 174.1
[M+CH3COO]- 326.110591 192.3
[M+Na-2H]- 288.071406 161.4
[M]+ 267.09619142 158.6
[M]- 267.09728858 158.6
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.