CID 135876292

1170363-87-7

Structural Information

Molecular Formula

C₁₀H₁₃N₅O

SMILES

CCC1=CC(=O)NC(=N1)N2C(=CC(=N2)C)N

InChI

InChI=1S/C10H13N5O/c1-3-7-5-9(16)13-10(12-7)15-8(11)4-6(2)14-15/h4-5H,3,11H2,1-2H3,(H,12,13,16)

InChIKey

XPEUDXYKRDHTJB-UHFFFAOYSA-N

Compound name

2-(5-amino-3-methylpyrazol-1-yl)-4-ethyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 219.11201 Da
Monoisotopic Mass: 0.5
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]+	220.11929	149.7
[M+Na]+	242.10123	160.8
[M-H]-	218.10473	150.8
[M+NH4]+	237.14583	164.0
[M+K]+	258.07517	155.8
[M+H-H2O]+	202.10927	140.9
[M+HCOO]-	264.11021	170.2
[M+CH3COO]-	278.12586	188.8
[M+Na-2H]-	240.08668	153.1
[M]+	219.11146	149.0
[M]-	219.11256	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe