CID 6857992

106064-06-6

Structural Information

Molecular Formula
C21H25NO3
SMILES
CC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=CC=C2OCCCN(C)C
InChI
InChI=1S/C21H25NO3/c1-17(23)21(16-18-10-5-4-6-11-18)25-20-13-8-7-12-19(20)24-15-9-14-22(2)3/h4-8,10-13,16H,9,14-15H2,1-3H3/b21-16-
InChIKey
KBSOJZCTPRSMSL-PGMHBOJBSA-N
Compound name
(Z)-3-[2-[3-(dimethylamino)propoxy]phenoxy]-4-phenylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19072 184.2
[M+Na]+ 362.17266 187.7
[M-H]- 338.17616 191.1
[M+NH4]+ 357.21726 197.3
[M+K]+ 378.14660 185.2
[M+H-H2O]+ 322.18070 174.8
[M+HCOO]- 384.18164 206.7
[M+CH3COO]- 398.19729 217.8
[M+Na-2H]- 360.15811 184.9
[M]+ 339.18289 188.1
[M]- 339.18399 188.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.