CID 6479516

Chembl362208

Structural Information

Molecular Formula

C₁₂H₁₂N₄

SMILES

C1=CC=C(C=C1)/C=C/C2=CN=C(N=C2N)N

InChI

InChI=1S/C12H12N4/c13-11-10(8-15-12(14)16-11)7-6-9-4-2-1-3-5-9/h1-8H,(H4,13,14,15,16)/b7-6+

InChIKey

ZXKGLLUQSMVCTM-VOTSOKGWSA-N

Compound name

5-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 212.1062 Da
Monoisotopic Mass: 1.8
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]+	213.11348	147.7
[M+Na]+	235.09542	156.0
[M-H]-	211.09892	151.2
[M+NH4]+	230.14002	162.8
[M+K]+	251.06936	150.5
[M+H-H2O]+	195.10346	138.9
[M+HCOO]-	257.10440	171.2
[M+CH3COO]-	271.12005	159.6
[M+Na-2H]-	233.08087	154.5
[M]+	212.10565	143.8
[M]-	212.10675	143.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.