CID 135524651

N-(8-allyl-6-methyl-4-oxo-3h-imidazo[1,5-a][1,3,5]triazin-2-yl)acetamide

Structural Information

Molecular Formula
C11H13N5O2
SMILES
CC1=NC(=C2N1C(=O)NC(=N2)NC(=O)C)CC=C
InChI
InChI=1S/C11H13N5O2/c1-4-5-8-9-14-10(13-7(3)17)15-11(18)16(9)6(2)12-8/h4H,1,5H2,2-3H3,(H2,13,14,15,17,18)
InChIKey
BRBZJYWGDLAMJJ-UHFFFAOYSA-N
Compound name
N-(6-methyl-4-oxo-8-prop-2-enyl-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

247.10692 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11420 155.9
[M+Na]+ 270.09614 167.7
[M-H]- 246.09964 155.4
[M+NH4]+ 265.14074 170.5
[M+K]+ 286.07008 162.6
[M+H-H2O]+ 230.10418 147.8
[M+HCOO]- 292.10512 176.0
[M+CH3COO]- 306.12077 194.8
[M+Na-2H]- 268.08159 160.3
[M]+ 247.10637 158.6
[M]- 247.10747 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.