CID 54406223

Dtxsid30888252

Structural Information

Molecular Formula
C30H39NO2
SMILES
CCCCCCCCCCCCOC1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3C=C2)OC
InChI
InChI=1S/C30H39NO2/c1-3-4-5-6-7-8-9-10-11-14-23-33-29-22-18-25(24-30(29)32-2)17-20-27-21-19-26-15-12-13-16-28(26)31-27/h12-13,15-22,24H,3-11,14,23H2,1-2H3
InChIKey
VQWGCFKMUFNLIK-UHFFFAOYSA-N
Compound name
2-[2-(4-dodecoxy-3-methoxyphenyl)ethenyl]quinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

906
Patents

445.29807 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.30535 218.7
[M+Na]+ 468.28729 222.2
[M-H]- 444.29079 222.5
[M+NH4]+ 463.33189 227.2
[M+K]+ 484.26123 214.3
[M+H-H2O]+ 428.29533 206.7
[M+HCOO]- 490.29627 236.2
[M+CH3COO]- 504.31192 235.5
[M+Na-2H]- 466.27274 218.7
[M]+ 445.29752 225.1
[M]- 445.29862 225.1
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