CID 463109

85544-41-8

Structural Information

Molecular Formula

C₁₄H₁₈N₄O₂

SMILES

CCOC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC

InChI

InChI=1S/C14H18N4O2/c1-3-20-11-5-4-9(7-12(11)19-2)6-10-8-17-14(16)18-13(10)15/h4-5,7-8H,3,6H2,1-2H3,(H4,15,16,17,18)

InChIKey

DRVXIPMHENHGQH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 274.14297 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]+	275.15025	164.7
[M+Na]+	297.13219	173.2
[M-H]-	273.13569	168.5
[M+NH4]+	292.17679	177.6
[M+K]+	313.10613	169.2
[M+H-H2O]+	257.14023	155.2
[M+HCOO]-	319.14117	187.6
[M+CH3COO]-	333.15682	205.1
[M+Na-2H]-	295.11764	168.7
[M]+	274.14242	165.8
[M]-	274.14352	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe