CID 6857993

106064-08-8

Structural Information

Molecular Formula
C23H29NO3
SMILES
CCN(CC)CCCOC1=CC=CC=C1O/C(=C\C2=CC=CC=C2)/C(=O)C
InChI
InChI=1S/C23H29NO3/c1-4-24(5-2)16-11-17-26-21-14-9-10-15-22(21)27-23(19(3)25)18-20-12-7-6-8-13-20/h6-10,12-15,18H,4-5,11,16-17H2,1-3H3/b23-18-
InChIKey
CNQNTUCXCZSQDR-NKFKGCMQSA-N
Compound name
(Z)-3-[2-[3-(diethylamino)propoxy]phenoxy]-4-phenylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21475 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.22203 193.5
[M+Na]+ 390.20397 196.1
[M-H]- 366.20747 200.0
[M+NH4]+ 385.24857 205.4
[M+K]+ 406.17791 193.0
[M+H-H2O]+ 350.21201 183.6
[M+HCOO]- 412.21295 215.2
[M+CH3COO]- 426.22860 223.7
[M+Na-2H]- 388.18942 193.1
[M]+ 367.21420 198.1
[M]- 367.21530 198.1
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.