CID 296368

19132-98-0

Structural Information

Molecular Formula

C₁₈H₁₉NO

SMILES

CC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H19NO/c1-14-4-9-16(10-5-14)18(20)13-8-15-6-11-17(12-7-15)19(2)3/h4-13H,1-3H3

InChIKey

WDFJWHWYPOZAQG-UHFFFAOYSA-N

Compound name

3-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 265.14667 Da
Monoisotopic Mass: 3.6
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]+	266.15395	163.0
[M+Na]+	288.13589	169.4
[M-H]-	264.13939	170.9
[M+NH4]+	283.18049	179.8
[M+K]+	304.10983	165.8
[M+H-H2O]+	248.14393	154.9
[M+HCOO]-	310.14487	187.2
[M+CH3COO]-	324.16052	205.2
[M+Na-2H]-	286.12134	165.9
[M]+	265.14612	164.1
[M]-	265.14722	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe