CID 3038482

65843-79-0

Structural Information

Molecular Formula
C20H26N2O
SMILES
COC1=CC2=C(C=CN=C2C=C1)CCC[C@@H]3CCNC[C@H]3C=C
InChI
InChI=1S/C20H26N2O/c1-3-15-14-21-11-9-16(15)5-4-6-17-10-12-22-20-8-7-18(23-2)13-19(17)20/h3,7-8,10,12-13,15-16,21H,1,4-6,9,11,14H2,2H3/t15-,16-/m1/s1
InChIKey
XFXANHWIBFMEOY-HZPDHXFCSA-N
Compound name
4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]-6-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

864
Patents

310.2045 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21178 178.3
[M+Na]+ 333.19372 183.1
[M-H]- 309.19722 180.2
[M+NH4]+ 328.23832 190.3
[M+K]+ 349.16766 176.2
[M+H-H2O]+ 293.20176 168.2
[M+HCOO]- 355.20270 192.1
[M+CH3COO]- 369.21835 206.1
[M+Na-2H]- 331.17917 180.5
[M]+ 310.20395 174.7
[M]- 310.20505 174.7
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

patents stripe