CID 70116950

Z-1-[4-(2-benzyloxyethoxy)-phenyl]-4-chloro-1,2-diphenyl-but-1-ene

Structural Information

Molecular Formula
C31H29ClO2
SMILES
C1=CC=C(C=C1)COCCOC2=CC=C(C=C2)/C(=C(/CCCl)\C3=CC=CC=C3)/C4=CC=CC=C4
InChI
InChI=1S/C31H29ClO2/c32-21-20-30(26-12-6-2-7-13-26)31(27-14-8-3-9-15-27)28-16-18-29(19-17-28)34-23-22-33-24-25-10-4-1-5-11-25/h1-19H,20-24H2/b31-30-
InChIKey
XARXSXPYKRGUFO-KTMFPKCZSA-N
Compound name
1-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

468.1856 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.19288 218.9
[M+Na]+ 491.17482 221.5
[M-H]- 467.17832 228.8
[M+NH4]+ 486.21942 225.8
[M+K]+ 507.14876 212.8
[M+H-H2O]+ 451.18286 206.7
[M+HCOO]- 513.18380 233.4
[M+CH3COO]- 527.19945 225.4
[M+Na-2H]- 489.16027 218.5
[M]+ 468.18505 221.4
[M]- 468.18615 221.4
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

patents stripe