CID 3023619

4,7-dipropoxyquinaldine hydrochloride

Structural Information

Molecular Formula
C16H21NO2
SMILES
CCCOC1=CC2=NC(=CC(=C2C=C1)OCCC)C
InChI
InChI=1S/C16H21NO2/c1-4-8-18-13-6-7-14-15(11-13)17-12(3)10-16(14)19-9-5-2/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKey
JBNGSNQJOFJMJP-UHFFFAOYSA-N
Compound name
2-methyl-4,7-dipropoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.15723 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.164506 161.3
[M+Na]+ 282.146448 169.8
[M-H]- 258.149954 164.4
[M+NH4]+ 277.191053 178.5
[M+K]+ 298.120388 166.4
[M+H-H2O]+ 242.154490 153.5
[M+HCOO]- 304.155431 182.5
[M+CH3COO]- 318.171081 199.9
[M+Na-2H]- 280.131896 166.8
[M]+ 259.15668142 166.9
[M]- 259.15777858 166.9
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.