CID 216493

Dtxsid10877220

Structural Information

Molecular Formula

C₁₃H₁₆N₄O₂

SMILES

COC1=CC=CC(=C1OC)CC2=CN=C(N=C2N)N

InChI

InChI=1S/C13H16N4O2/c1-18-10-5-3-4-8(11(10)19-2)6-9-7-16-13(15)17-12(9)14/h3-5,7H,6H2,1-2H3,(H4,14,15,16,17)

InChIKey

IURBSWPLAMHMIG-UHFFFAOYSA-N

Compound name

5-[(2,3-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 260.12732 Da
Monoisotopic Mass: 1.6
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]+	261.134596	160.3
[M+Na]+	283.116538	169.2
[M-H]-	259.120044	164.3
[M+NH4]+	278.161143	173.8
[M+K]+	299.090478	165.4
[M+H-H2O]+	243.124580	151.0
[M+HCOO]-	305.125521	183.5
[M+CH3COO]-	319.141171	202.1
[M+Na-2H]-	281.101986	164.8
[M]+	260.12677142	161.0
[M]-	260.12786858	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe