CID 20748397

5-(benzyloxy)pyrimidin-2-amine

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

C1=CC=C(C=C1)COC2=CN=C(N=C2)N

InChI

InChI=1S/C11H11N3O/c12-11-13-6-10(7-14-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,13,14)

InChIKey

BRIAQLVXVQRDLK-UHFFFAOYSA-N

Compound name

5-phenylmethoxypyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 201.09021 Da
Monoisotopic Mass: 1.3
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	142.6
[M+Na]+	224.079428	150.6
[M-H]-	200.082934	146.2
[M+NH4]+	219.124033	158.2
[M+K]+	240.053368	147.0
[M+H-H2O]+	184.087470	133.6
[M+HCOO]-	246.088411	165.9
[M+CH3COO]-	260.104061	185.7
[M+Na-2H]-	222.064876	151.2
[M]+	201.08966142	141.7
[M]-	201.09075858	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe