CID 3062090

80221-62-1

Structural Information

Molecular Formula
C23H26N2O
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)CCC4CCNCC4
InChI
InChI=1S/C23H26N2O/c1-26-20-10-8-18(9-11-20)23-16-19(7-6-17-12-14-24-15-13-17)21-4-2-3-5-22(21)25-23/h2-5,8-11,16-17,24H,6-7,12-15H2,1H3
InChIKey
DOBJUPXQSTYLEC-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-4-(2-piperidin-4-ylethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

346.2045 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.211776 186.6
[M+Na]+ 369.193718 190.9
[M-H]- 345.197224 191.4
[M+NH4]+ 364.238323 196.4
[M+K]+ 385.167658 183.3
[M+H-H2O]+ 329.201760 174.7
[M+HCOO]- 391.202701 200.3
[M+CH3COO]- 405.218351 194.2
[M+Na-2H]- 367.179166 189.5
[M]+ 346.20395142 181.8
[M]- 346.20504858 181.8
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