CID 89451

21165-52-6

Structural Information

Molecular Formula

C₁₇H₁₇Cl₂N

SMILES

CN(C)CC=C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H17Cl2N/c1-20(2)12-11-17(13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14/h3-11H,12H2,1-2H3

InChIKey

SRNRETSVFRMCNT-UHFFFAOYSA-N

Compound name

3,3-bis(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 305.0738 Da
Monoisotopic Mass: 5.5
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]+	306.081076	169.8
[M+Na]+	328.063018	177.7
[M-H]-	304.066524	176.7
[M+NH4]+	323.107623	186.5
[M+K]+	344.036958	170.9
[M+H-H2O]+	288.071060	163.3
[M+HCOO]-	350.072001	184.2
[M+CH3COO]-	364.087651	208.9
[M+Na-2H]-	326.048466	171.8
[M]+	305.07325142	173.5
[M]-	305.07434858	173.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe