CID 57953606

5met

Structural Information

Molecular Formula
C24H26
SMILES
CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C
InChI
InChI=1S/C24H26/c1-3-4-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(2)8-12-21/h7-18H,3-6H2,1-2H3
InChIKey
WOAUGQSUMZKZHF-UHFFFAOYSA-N
Compound name
1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

314.20346 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.21074 179.1
[M+Na]+ 337.19268 185.5
[M-H]- 313.19618 188.2
[M+NH4]+ 332.23728 193.5
[M+K]+ 353.16662 178.6
[M+H-H2O]+ 297.20072 169.5
[M+HCOO]- 359.20166 201.2
[M+CH3COO]- 373.21731 189.9
[M+Na-2H]- 335.17813 181.8
[M]+ 314.20291 179.9
[M]- 314.20401 179.9
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