CID 3017875

3,6-bis(1-phenylethyl)-o-xylene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.20346 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.210736 178.5
[M+Na]+ 337.192678 184.2
[M-H]- 313.196184 187.8
[M+NH4]+ 332.237283 192.7
[M+K]+ 353.166618 178.4
[M+H-H2O]+ 297.200720 169.3
[M+HCOO]- 359.201661 198.6
[M+CH3COO]- 373.217311 212.9
[M+Na-2H]- 335.178126 179.0
[M]+ 314.20291142 178.1
[M]- 314.20400858 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

patents stripe