CID 6441770

Einecs 273-847-9

Structural Information

Molecular Formula
C21H29NO
SMILES
CCCC1=C2C=CC(=C(C2=NC(=C1CCC)CCC)O)/C=C/C
InChI
InChI=1S/C21H29NO/c1-5-9-15-13-14-18-16(10-6-2)17(11-7-3)19(12-8-4)22-20(18)21(15)23/h5,9,13-14,23H,6-8,10-12H2,1-4H3/b9-5+
InChIKey
SYCDLJCJMTXSIJ-WEVVVXLNSA-N
Compound name
7-[(E)-prop-1-enyl]-2,3,4-tripropylquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2249 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.23218 180.3
[M+Na]+ 334.21412 194.5
[M+NH4]+ 329.25872 187.9
[M+K]+ 350.18806 184.9
[M-H]- 310.21762 182.7
[M+Na-2H]- 332.19957 184.6
[M]+ 311.22435 183.1
[M]- 311.22545 183.1
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

No patent data available for this compound.