CID 1272788

4-aminostilbene

Structural Information

Molecular Formula

C₁₄H₁₃N

SMILES

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

InChI

InChI=1S/C14H13N/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,15H2/b7-6+

InChIKey

VFPLSXYJYAKZCT-VOTSOKGWSA-N

Compound name

4-[(E)-2-phenylethenyl]aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 22
References: 604
Patents: 195.1048 Da
Monoisotopic Mass: 3.8
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]+	196.112076	142.9
[M+Na]+	218.094018	150.1
[M-H]-	194.097524	149.1
[M+NH4]+	213.138623	161.7
[M+K]+	234.067958	145.1
[M+H-H2O]+	178.102060	135.8
[M+HCOO]-	240.103001	168.0
[M+CH3COO]-	254.118651	185.9
[M+Na-2H]-	216.079466	149.7
[M]+	195.10425142	139.9
[M]-	195.10534858	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe