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]+ 340.190716 184.2
[M+Na]+ 362.172658 187.7
[M-H]- 338.176164 191.1
[M+NH4]+ 357.217263 197.3
[M+K]+ 378.146598 185.2
[M+H-H2O]+ 322.180700 174.8
[M+HCOO]- 384.181641 206.7
[M+CH3COO]- 398.197291 217.8
[M+Na-2H]- 360.158106 184.9
[M]+ 339.18289142 188.1
[M]- 339.18398858 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.