CID 12580773

Lithium, (mu-(1,3-phenylenebis(3-methyl-1-phenylpentylidene)))di-

Structural Information

Molecular Formula
C30H38
SMILES
CCC(C)CC(C1=CC=CC=C1)C2=CC(=CC=C2)C(CC(C)CC)C3=CC=CC=C3
InChI
InChI=1S/C30H38/c1-5-23(3)20-29(25-14-9-7-10-15-25)27-18-13-19-28(22-27)30(21-24(4)6-2)26-16-11-8-12-17-26/h7-19,22-24,29-30H,5-6,20-21H2,1-4H3
InChIKey
AFOGBTRZYDDRIP-UHFFFAOYSA-N
Compound name
1,3-bis(3-methyl-1-phenylpentyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

398.29736 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.30464 207.1
[M+Na]+ 421.28658 221.7
[M+NH4]+ 416.33118 215.8
[M+K]+ 437.26052 211.1
[M-H]- 397.29008 214.8
[M+Na-2H]- 419.27203 217.1
[M]+ 398.29681 211.7
[M]- 398.29791 211.7
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