CID 170381

4,4'-bis(2-methoxystyryl)biphenyl

Structural Information

Molecular Formula
C30H26O2
SMILES
COC1=CC=CC=C1C=CC2=CC=C(C=C2)C3=CC=C(C=C3)C=CC4=CC=CC=C4OC
InChI
InChI=1S/C30H26O2/c1-31-29-9-5-3-7-27(29)21-15-23-11-17-25(18-12-23)26-19-13-24(14-20-26)16-22-28-8-4-6-10-30(28)32-2/h3-22H,1-2H3
InChIKey
HZAWHDJKNZWAAR-UHFFFAOYSA-N
Compound name
1-methoxy-2-[2-[4-[4-[2-(2-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

253
Patents

418.19327 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.20055 207.9
[M+Na]+ 441.18249 214.0
[M-H]- 417.18599 219.6
[M+NH4]+ 436.22709 217.1
[M+K]+ 457.15643 205.7
[M+H-H2O]+ 401.19053 195.7
[M+HCOO]- 463.19147 229.5
[M+CH3COO]- 477.20712 216.7
[M+Na-2H]- 439.16794 208.6
[M]+ 418.19272 209.1
[M]- 418.19382 209.1
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

patents stripe