CID 108370

4-(1,3-diphenylbutyl)-o-xylene

Structural Information

Molecular Formula
C24H26
SMILES
CC1=C(C=C(C=C1)C(CC(C)C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C24H26/c1-18-14-15-23(16-19(18)2)24(22-12-8-5-9-13-22)17-20(3)21-10-6-4-7-11-21/h4-16,20,24H,17H2,1-3H3
InChIKey
LWURZOGQVAFYIE-UHFFFAOYSA-N
Compound name
4-(1,3-diphenylbutyl)-1,2-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
3
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]+ 315.21074 179.1
[M+Na]+ 337.19268 183.9
[M-H]- 313.19618 187.9
[M+NH4]+ 332.23728 193.0
[M+K]+ 353.16662 178.0
[M+H-H2O]+ 297.20072 169.7
[M+HCOO]- 359.20166 199.2
[M+CH3COO]- 373.21731 189.3
[M+Na-2H]- 335.17813 180.3
[M]+ 314.20291 178.3
[M]- 314.20401 178.3
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