CID 139595647

Ns00101023

Structural Information

Molecular Formula
C27H31NO3
SMILES
CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC(=C(C=C3)OC)O
InChI
InChI=1S/C27H31NO3/c1-5-24(22-13-16-26(30-4)25(29)19-22)27(20-9-7-6-8-10-20)21-11-14-23(15-12-21)31-18-17-28(2)3/h6-16,19,29H,5,17-18H2,1-4H3/b27-24-
InChIKey
JUOIQAFNMJEPBM-PNHLSOANSA-N
Compound name
5-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.2304 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.237676 206.2
[M+Na]+ 440.219618 209.1
[M-H]- 416.223124 214.8
[M+NH4]+ 435.264223 215.2
[M+K]+ 456.193558 204.9
[M+H-H2O]+ 400.227660 195.4
[M+HCOO]- 462.228601 225.9
[M+CH3COO]- 476.244251 232.2
[M+Na-2H]- 438.205066 204.3
[M]+ 417.22985142 208.9
[M]- 417.23094858 208.9
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

No patent data available for this compound.