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]+ 418.23768 206.2
[M+Na]+ 440.21962 209.1
[M-H]- 416.22312 214.8
[M+NH4]+ 435.26422 215.2
[M+K]+ 456.19356 204.9
[M+H-H2O]+ 400.22766 195.4
[M+HCOO]- 462.22860 225.9
[M+CH3COO]- 476.24425 232.2
[M+Na-2H]- 438.20507 204.3
[M]+ 417.22985 208.9
[M]- 417.23095 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.