CID 21351019

Mep2ppa

Structural Information

Molecular Formula
C23H20
SMILES
CCC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)C
InChI
InChI=1S/C23H20/c1-3-19-10-14-22(15-11-19)23-16-12-21(13-17-23)9-8-20-6-4-18(2)5-7-20/h4-7,10-17H,3H2,1-2H3
InChIKey
WMVRQQZANVYKTF-UHFFFAOYSA-N
Compound name
1-(4-ethylphenyl)-4-[2-(4-methylphenyl)ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.1565 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.16378 178.3
[M+Na]+ 319.14572 189.0
[M-H]- 295.14922 184.6
[M+NH4]+ 314.19032 191.6
[M+K]+ 335.11966 178.4
[M+H-H2O]+ 279.15376 163.7
[M+HCOO]- 341.15470 195.0
[M+CH3COO]- 355.17035 187.8
[M+Na-2H]- 317.13117 180.0
[M]+ 296.15595 172.3
[M]- 296.15705 172.3
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