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 179.8
[M+Na]+ 334.21412 188.0
[M-H]- 310.21762 181.4
[M+NH4]+ 329.25872 194.9
[M+K]+ 350.18806 181.5
[M+H-H2O]+ 294.22216 172.2
[M+HCOO]- 356.22310 197.7
[M+CH3COO]- 370.23875 211.3
[M+Na-2H]- 332.19957 180.8
[M]+ 311.22435 184.0
[M]- 311.22545 184.0
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.