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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	248.114196	155.9
[M+Na]+	270.096138	167.7
[M-H]-	246.099644	155.4
[M+NH4]+	265.140743	170.5
[M+K]+	286.070078	162.6
[M+H-H2O]+	230.104180	147.8
[M+HCOO]-	292.105121	176.0
[M+CH3COO]-	306.120771	194.8
[M+Na-2H]-	268.081586	160.3
[M]+	247.10637142	158.6
[M]-	247.10746858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.