CID 6442034

Einecs 276-866-0

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

23
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 208.7
[M+Na]+ 437.22396 216.1
[M-H]- 413.22746 220.8
[M+NH4]+ 432.26856 218.9
[M+K]+ 453.19790 206.1
[M+H-H2O]+ 397.23200 197.0
[M+HCOO]- 459.23294 229.3
[M+CH3COO]- 473.24859 217.8
[M+Na-2H]- 435.20941 207.0
[M]+ 414.23419 208.8
[M]- 414.23529 208.8
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