CID 16117816

865304-71-8

Structural Information

Molecular Formula

C₁₄H₁₈N₄O₂

SMILES

CC(C)C1=C(C=CC(=C1)OC)OC2=CN=C(N=C2N)N

InChI

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

InChIKey

HIKYTWIVLKHYIM-UHFFFAOYSA-N

Compound name

5-(4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 155
Patents: 274.14297 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]+	275.150246	165.1
[M+Na]+	297.132188	173.3
[M-H]-	273.135694	169.1
[M+NH4]+	292.176793	178.0
[M+K]+	313.106128	169.9
[M+H-H2O]+	257.140230	155.8
[M+HCOO]-	319.141171	187.1
[M+CH3COO]-	333.156821	206.0
[M+Na-2H]-	295.117636	168.0
[M]+	274.14242142	165.7
[M]-	274.14351858	165.7

Literature stripe

literature stripe

Patent stripe

patents stripe