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]+ 347.21178 188.4
[M+Na]+ 369.19372 204.3
[M+NH4]+ 364.23832 197.2
[M+K]+ 385.16766 193.8
[M-H]- 345.19722 195.1
[M+Na-2H]- 367.17917 197.7
[M]+ 346.20395 192.7
[M]- 346.20505 192.7
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