CID 135524654

Acetamide, n-[8-(2,3-dihydroxypropyl)-3,4-dihydro-6-methyl-4-oxoimidazo[1,5-a]-1,3,5-triazin-2-yl]-

Structural Information

Molecular Formula
C11H15N5O4
SMILES
CC1=NC(=C2N1C(=O)NC(=N2)NC(=O)C)CC(CO)O
InChI
InChI=1S/C11H15N5O4/c1-5-12-8(3-7(19)4-17)9-14-10(13-6(2)18)15-11(20)16(5)9/h7,17,19H,3-4H2,1-2H3,(H2,13,14,15,18,20)
InChIKey
IJSAZSCNWASFCL-UHFFFAOYSA-N
Compound name
N-[8-(2,3-dihydroxypropyl)-6-methyl-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

281.1124 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 162.7
[M+Na]+ 304.10162 172.5
[M-H]- 280.10512 159.7
[M+NH4]+ 299.14622 174.2
[M+K]+ 320.07556 168.3
[M+H-H2O]+ 264.10966 154.9
[M+HCOO]- 326.11060 179.0
[M+CH3COO]- 340.12625 196.6
[M+Na-2H]- 302.08707 165.4
[M]+ 281.11185 164.6
[M]- 281.11295 164.6
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.