CID 6435724

Brn 6230842

Structural Information

Molecular Formula
C25H33NO3
SMILES
CC(C)N(CCCOC1=CC=CC=C1O/C(=C\C2=CC=CC=C2)/C(=O)C)C(C)C
InChI
InChI=1S/C25H33NO3/c1-19(2)26(20(3)4)16-11-17-28-23-14-9-10-15-24(23)29-25(21(5)27)18-22-12-7-6-8-13-22/h6-10,12-15,18-20H,11,16-17H2,1-5H3/b25-18-
InChIKey
NHRXBAWIRXVUEH-BWAHOGKJSA-N
Compound name
(Z)-3-[2-[3-[di(propan-2-yl)amino]propoxy]phenoxy]-4-phenylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.24603 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.25331 202.2
[M+Na]+ 418.23525 203.4
[M-H]- 394.23875 208.4
[M+NH4]+ 413.27985 212.8
[M+K]+ 434.20919 201.1
[M+H-H2O]+ 378.24329 192.4
[M+HCOO]- 440.24423 221.3
[M+CH3COO]- 454.25988 231.3
[M+Na-2H]- 416.22070 198.5
[M]+ 395.24548 206.3
[M]- 395.24658 206.3
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.