CID 22833369

Dtxsid40891292

Structural Information

Molecular Formula
C24H34O
SMILES
CCCC(C)C(CCC)C(C)CC1=CC(=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C24H34O/c1-5-11-19(3)24(12-6-2)20(4)17-21-13-10-16-23(18-21)25-22-14-8-7-9-15-22/h7-10,13-16,18-20,24H,5-6,11-12,17H2,1-4H3
InChIKey
SJVPNPBPNHHOQS-UHFFFAOYSA-N
Compound name
1-(2,4-dimethyl-3-propylheptyl)-3-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.26096 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.268236 189.7
[M+Na]+ 361.250178 192.0
[M-H]- 337.253684 194.6
[M+NH4]+ 356.294783 202.8
[M+K]+ 377.224118 187.7
[M+H-H2O]+ 321.258220 180.8
[M+HCOO]- 383.259161 207.8
[M+CH3COO]- 397.274811 217.5
[M+Na-2H]- 359.235626 187.8
[M]+ 338.26041142 192.2
[M]- 338.26150858 192.2
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

No patent data available for this compound.