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]+ 268.10402 157.4
[M+Na]+ 290.08596 166.8
[M-H]- 266.08946 154.2
[M+NH4]+ 285.13056 169.2
[M+K]+ 306.05990 162.8
[M+H-H2O]+ 250.09400 149.5
[M+HCOO]- 312.09494 174.1
[M+CH3COO]- 326.11059 192.3
[M+Na-2H]- 288.07141 161.4
[M]+ 267.09619 158.6
[M]- 267.09729 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.