CID 135449835

4987-28-4

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

CC1=C(N=C(NC1=O)N)C2=CC=CC=C2

InChI

InChI=1S/C11H11N3O/c1-7-9(8-5-3-2-4-6-8)13-11(12)14-10(7)15/h2-6H,1H3,(H3,12,13,14,15)

InChIKey

RTJLTGPOGBPZFC-UHFFFAOYSA-N

Compound name

2-amino-5-methyl-4-phenyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 4
Patents: 201.09021 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]+	202.097486	143.4
[M+Na]+	224.079428	153.3
[M-H]-	200.082934	146.6
[M+NH4]+	219.124033	159.0
[M+K]+	240.053368	148.2
[M+H-H2O]+	184.087470	135.4
[M+HCOO]-	246.088411	165.5
[M+CH3COO]-	260.104061	184.9
[M+Na-2H]-	222.064876	149.9
[M]+	201.08966142	140.9
[M]-	201.09075858	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe