CID 23391126

Me5t

Structural Information

Molecular Formula
C24H26O
SMILES
CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H26O/c1-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-17-24(25-2)18-16-23/h7-18H,3-6H2,1-2H3
InChIKey
WUKSMZAFAYVLFG-UHFFFAOYSA-N
Compound name
1-methoxy-4-[4-(4-pentylphenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

330.19836 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20564 183.0
[M+Na]+ 353.18758 189.3
[M-H]- 329.19108 192.1
[M+NH4]+ 348.23218 196.6
[M+K]+ 369.16152 183.0
[M+H-H2O]+ 313.19562 173.1
[M+HCOO]- 375.19656 205.4
[M+CH3COO]- 389.21221 213.2
[M+Na-2H]- 351.17303 185.7
[M]+ 330.19781 185.2
[M]- 330.19891 185.2
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