CID 6452355

Bis(1-phenylethyl)xylene

Structural Information

Molecular Formula
C24H26
SMILES
CC1=CC=C(C=C1)C(C(C)C2=CC=CC=C2)C(C)C3=CC=CC=C3
InChI
InChI=1S/C24H26/c1-18-14-16-23(17-15-18)24(19(2)21-10-6-4-7-11-21)20(3)22-12-8-5-9-13-22/h4-17,19-20,24H,1-3H3
InChIKey
KXNMMEVJUAYWHP-UHFFFAOYSA-N
Compound name
1-(2,4-diphenylpentan-3-yl)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

314.20346 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.210736 179.2
[M+Na]+ 337.192678 182.7
[M-H]- 313.196184 187.7
[M+NH4]+ 332.237283 192.6
[M+K]+ 353.166618 177.2
[M+H-H2O]+ 297.200720 169.8
[M+HCOO]- 359.201661 198.3
[M+CH3COO]- 373.217311 188.9
[M+Na-2H]- 335.178126 179.9
[M]+ 314.20291142 177.4
[M]- 314.20400858 177.4
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