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]+ 260.16451 161.3
[M+Na]+ 282.14645 169.8
[M-H]- 258.14995 164.4
[M+NH4]+ 277.19105 178.5
[M+K]+ 298.12039 166.4
[M+H-H2O]+ 242.15449 153.5
[M+HCOO]- 304.15543 182.5
[M+CH3COO]- 318.17108 199.9
[M+Na-2H]- 280.13190 166.8
[M]+ 259.15668 166.9
[M]- 259.15778 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.