CID 3059458

76603-20-8

Structural Information

Molecular Formula

C₁₀H₁₂N₄O

SMILES

CCC(=O)N1C2=C(C=NC=C2)N=C(N1)C

InChI

InChI=1S/C10H12N4O/c1-3-10(15)14-9-4-5-11-6-8(9)12-7(2)13-14/h4-6H,3H2,1-2H3,(H,12,13)

InChIKey

AVOYYLUKESDVLC-UHFFFAOYSA-N

Compound name

1-(3-methyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 204.1011 Da
Monoisotopic Mass: 1.7
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]+	205.10838	147.5
[M+Na]+	227.09032	156.6
[M-H]-	203.09382	145.3
[M+NH4]+	222.13492	161.7
[M+K]+	243.06426	152.4
[M+H-H2O]+	187.09836	138.8
[M+HCOO]-	249.09930	162.6
[M+CH3COO]-	263.11495	184.4
[M+Na-2H]-	225.07577	154.2
[M]+	204.10055	146.1
[M]-	204.10165	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe