CID 6435629

Stilbenemidine

Structural Information

Molecular Formula

C₁₄H₁₅N₃

SMILES

CN(C)C1=CC=C(C=C1)/C=C/C2=NC=NC=C2

InChI

InChI=1S/C14H15N3/c1-17(2)14-7-4-12(5-8-14)3-6-13-9-10-15-11-16-13/h3-11H,1-2H3/b6-3+

InChIKey

OFCUZVXGFQJLHM-ZZXKWVIFSA-N

Compound name

N,N-dimethyl-4-[(E)-2-pyrimidin-4-ylethenyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 225.1266 Da
Monoisotopic Mass: 2.6
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]+	226.13388	151.8
[M+Na]+	248.11582	159.1
[M-H]-	224.11932	157.0
[M+NH4]+	243.16042	167.4
[M+K]+	264.08976	155.4
[M+H-H2O]+	208.12386	142.3
[M+HCOO]-	270.12480	175.3
[M+CH3COO]-	284.14045	195.3
[M+Na-2H]-	246.10127	159.1
[M]+	225.12605	152.0
[M]-	225.12715	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe