CID 23391154

2meot

Structural Information

Molecular Formula
C21H20O
SMILES
CCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H20O/c1-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22-2)15-13-20/h4-15H,3H2,1-2H3
InChIKey
FIXAHENFROSDSA-UHFFFAOYSA-N
Compound name
1-ethyl-4-[4-(4-methoxyphenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

288.15143 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15871 169.1
[M+Na]+ 311.14065 176.8
[M-H]- 287.14415 178.9
[M+NH4]+ 306.18525 184.5
[M+K]+ 327.11459 171.2
[M+H-H2O]+ 271.14869 160.0
[M+HCOO]- 333.14963 192.6
[M+CH3COO]- 347.16528 181.2
[M+Na-2H]- 309.12610 173.6
[M]+ 288.15088 170.4
[M]- 288.15198 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe