CID 451880

Ammp

Structural Information

Molecular Formula

C₁₃H₁₅N₃O₂

SMILES

COC1=CC=C(C=C1)CC2=CC(=NC(=N2)OC)N

InChI

InChI=1S/C13H15N3O2/c1-17-11-5-3-9(4-6-11)7-10-8-12(14)16-13(15-10)18-2/h3-6,8H,7H2,1-2H3,(H2,14,15,16)

InChIKey

XQSBWVVYASKPKQ-UHFFFAOYSA-N

Compound name

2-methoxy-6-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 177
Patents: 245.11642 Da
Monoisotopic Mass: 2.1
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]+	246.12370	155.6
[M+Na]+	268.10564	164.5
[M-H]-	244.10914	159.8
[M+NH4]+	263.15024	170.0
[M+K]+	284.07958	161.1
[M+H-H2O]+	228.11368	146.5
[M+HCOO]-	290.11462	178.5
[M+CH3COO]-	304.13027	196.2
[M+Na-2H]-	266.09109	161.5
[M]+	245.11587	157.7
[M]-	245.11697	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe