CID 10244340

160948-33-4

Structural Information

Molecular Formula

C₁₂H₁₂N₄O₃

SMILES

CC1=C(C(=NC(=N1)N)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3/c1-8-10(16(17)18)11(15-12(13)14-8)19-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,13,14,15)

InChIKey

QRPFYXCKZRCRTD-UHFFFAOYSA-N

Compound name

4-methyl-5-nitro-6-phenylmethoxypyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 81
Patents: 260.09094 Da
Monoisotopic Mass: 1.9
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]+	261.09822	154.9
[M+Na]+	283.08016	169.3
[M+NH4]+	278.12476	161.6
[M+K]+	299.05410	165.9
[M-H]-	259.08366	159.5
[M+Na-2H]-	281.06561	163.0
[M]+	260.09039	158.0
[M]-	260.09149	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe