CID 103902

51555-02-3

Structural Information

Molecular Formula
C24H32O
SMILES
CCCCCCCC1=CC=C(C=C1)C(=C)C2=CC=C(C=C2)OCCC
InChI
InChI=1S/C24H32O/c1-4-6-7-8-9-10-21-11-13-22(14-12-21)20(3)23-15-17-24(18-16-23)25-19-5-2/h11-18H,3-10,19H2,1-2H3
InChIKey
FCRRHENEPCOJGE-UHFFFAOYSA-N
Compound name
1-heptyl-4-[1-(4-propoxyphenyl)ethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.24533 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.252606 187.7
[M+Na]+ 359.234548 191.7
[M-H]- 335.238054 192.9
[M+NH4]+ 354.279153 201.2
[M+K]+ 375.208488 185.9
[M+H-H2O]+ 319.242590 178.7
[M+HCOO]- 381.243531 208.0
[M+CH3COO]- 395.259181 216.2
[M+Na-2H]- 357.219996 187.5
[M]+ 336.24478142 191.0
[M]- 336.24587858 191.0
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.