CID 135524652

8-(2,3-dihydroxypropyl)-6-methyl-3h-imidazo[1,5-a][1,3,5]triazin-4-one

Structural Information

Molecular Formula
C9H12N4O3
SMILES
CC1=NC(=C2N1C(=O)NC=N2)CC(CO)O
InChI
InChI=1S/C9H12N4O3/c1-5-12-7(2-6(15)3-14)8-10-4-11-9(16)13(5)8/h4,6,14-15H,2-3H2,1H3,(H,10,11,16)
InChIKey
NJUUPDWTGSBMLP-UHFFFAOYSA-N
Compound name
8-(2,3-dihydroxypropyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09094 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09822 148.2
[M+Na]+ 247.08016 159.2
[M-H]- 223.08366 144.8
[M+NH4]+ 242.12476 162.4
[M+K]+ 263.05410 154.7
[M+H-H2O]+ 207.08820 140.7
[M+HCOO]- 269.08914 164.7
[M+CH3COO]- 283.10479 182.2
[M+Na-2H]- 245.06561 153.0
[M]+ 224.09039 149.7
[M]- 224.09149 149.7
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.