CID 103842

4,6-bis(1-phenylethyl)-m-xylene

Structural Information

Molecular Formula
C24H26
SMILES
CC1=CC(=C(C=C1C(C)C2=CC=CC=C2)C(C)C3=CC=CC=C3)C
InChI
InChI=1S/C24H26/c1-17-15-18(2)24(20(4)22-13-9-6-10-14-22)16-23(17)19(3)21-11-7-5-8-12-21/h5-16,19-20H,1-4H3
InChIKey
MQXKSESRXIZXFR-UHFFFAOYSA-N
Compound name
1,5-dimethyl-2,4-bis(1-phenylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.20346 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.21074 178.5
[M+Na]+ 337.19268 184.2
[M-H]- 313.19618 187.8
[M+NH4]+ 332.23728 192.7
[M+K]+ 353.16662 178.4
[M+H-H2O]+ 297.20072 169.3
[M+HCOO]- 359.20166 198.6
[M+CH3COO]- 373.21731 212.9
[M+Na-2H]- 335.17813 179.0
[M]+ 314.20291 178.1
[M]- 314.20401 178.1
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

No patent data available for this compound.