CID 5702492

F 2385

Structural Information

Molecular Formula

C₁₂H₁₃N₃O

SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C12H13N3O/c1-15(2)11-5-3-9(4-6-11)7-10(8-13)12(14)16/h3-7H,1-2H3,(H2,14,16)/b10-7+

InChIKey

TVPUSDGUXXMGMH-JXMROGBWSA-N

Compound name

(E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 4
Patents: 215.10587 Da
Monoisotopic Mass: 1.7
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]+	216.11315	153.7
[M+Na]+	238.09509	163.0
[M+NH4]+	233.13969	157.2
[M+K]+	254.06903	154.9
[M-H]-	214.09859	148.5
[M+Na-2H]-	236.08054	156.0
[M]+	215.10532	152.4
[M]-	215.10642	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe