CID 5743627

4'-(dimethylamino)-2'-hydroxychalcone

Structural Information

Molecular Formula

C₁₇H₁₇NO₂

SMILES

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

InChI

InChI=1S/C17H17NO2/c1-18(2)14-9-10-15(17(20)12-14)16(19)11-8-13-6-4-3-5-7-13/h3-12,20H,1-2H3/b11-8+

InChIKey

AAGLVZPFFWULCV-DHZHZOJOSA-N

Compound name

(E)-1-[4-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 267.12592 Da
Monoisotopic Mass: 4.0
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]+	268.133196	162.2
[M+Na]+	290.115138	168.4
[M-H]-	266.118644	168.9
[M+NH4]+	285.159743	178.1
[M+K]+	306.089078	164.8
[M+H-H2O]+	250.123180	154.3
[M+HCOO]-	312.124121	185.4
[M+CH3COO]-	326.139771	201.7
[M+Na-2H]-	288.100586	165.1
[M]+	267.12537142	162.5
[M]-	267.12646858	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe