CID 68235

Galipine

Structural Information

Molecular Formula
C20H21NO3
SMILES
COC1=C(C=C(C=C1)CCC2=NC3=CC=CC=C3C(=C2)OC)OC
InChI
InChI=1S/C20H21NO3/c1-22-18-11-9-14(12-20(18)24-3)8-10-15-13-19(23-2)16-6-4-5-7-17(16)21-15/h4-7,9,11-13H,8,10H2,1-3H3
InChIKey
XYXVQWAPEQXRET-UHFFFAOYSA-N
Compound name
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
Patents

323.15213 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15941 177.7
[M+Na]+ 346.14135 186.3
[M-H]- 322.14485 184.0
[M+NH4]+ 341.18595 191.7
[M+K]+ 362.11529 182.0
[M+H-H2O]+ 306.14939 167.9
[M+HCOO]- 368.15033 198.8
[M+CH3COO]- 382.16598 211.0
[M+Na-2H]- 344.12680 182.6
[M]+ 323.15158 183.6
[M]- 323.15268 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe