CID 3024265

94279-14-8

Structural Information

Molecular Formula
C24H26
SMILES
CCC1=C(C(=CC=C1)C(C)C2=CC=CC=C2)C(C)C3=CC=CC=C3
InChI
InChI=1S/C24H26/c1-4-20-16-11-17-23(18(2)21-12-7-5-8-13-21)24(20)19(3)22-14-9-6-10-15-22/h5-19H,4H2,1-3H3
InChIKey
HHCOXQKOLLRJQZ-UHFFFAOYSA-N
Compound name
1-ethyl-2,3-bis(1-phenylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

314.20346 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.210736 179.1
[M+Na]+ 337.192678 183.9
[M-H]- 313.196184 187.9
[M+NH4]+ 332.237283 193.0
[M+K]+ 353.166618 178.0
[M+H-H2O]+ 297.200720 169.7
[M+HCOO]- 359.201661 199.2
[M+CH3COO]- 373.217311 189.3
[M+Na-2H]- 335.178126 180.3
[M]+ 314.20291142 178.3
[M]- 314.20400858 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