CID 5468166

Mls002702167

Structural Information

Molecular Formula
C17H17NO2
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C17H17NO2/c1-18(2)15-8-3-13(4-9-15)5-12-17(20)14-6-10-16(19)11-7-14/h3-12,19H,1-2H3/b12-5+
InChIKey
BJWJZTDHDARRCW-LFYBBSHMSA-N
Compound name
(E)-3-[4-(dimethylamino)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

16
Patents

267.12592 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 162.2
[M+Na]+ 290.11514 168.4
[M-H]- 266.11864 168.9
[M+NH4]+ 285.15974 178.1
[M+K]+ 306.08908 164.8
[M+H-H2O]+ 250.12318 154.3
[M+HCOO]- 312.12412 185.4
[M+CH3COO]- 326.13977 201.7
[M+Na-2H]- 288.10059 165.1
[M]+ 267.12537 162.5
[M]- 267.12647 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe