CID 6442034

72814-85-8

Structural Information

Molecular Formula
C32H30
SMILES
CC1=CC(=C(C=C1)C)/C=C/C2=CC=C(C=C2)C3=CC=C(C=C3)/C=C/C4=C(C=CC(=C4)C)C
InChI
InChI=1S/C32H30/c1-23-5-7-25(3)31(21-23)19-13-27-9-15-29(16-10-27)30-17-11-28(12-18-30)14-20-32-22-24(2)6-8-26(32)4/h5-22H,1-4H3/b19-13+,20-14+
InChIKey
AMDSCXLLKXHWOJ-IWGRKNQJSA-N
Compound name
2-[(E)-2-[4-[4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-1,4-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

414.23474 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.24202 210.7
[M+Na]+ 437.22396 231.2
[M+NH4]+ 432.26856 220.2
[M+K]+ 453.19790 217.0
[M-H]- 413.22746 221.8
[M+Na-2H]- 435.20941 224.0
[M]+ 414.23419 217.4
[M]- 414.23529 217.4
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