CID 3062101

80221-79-0

Structural Information

Molecular Formula
C23H26N2
SMILES
CC1=CC2=C(C=C1)N=C(C=C2CCC3CCNCC3)C4=CC=CC=C4
InChI
InChI=1S/C23H26N2/c1-17-7-10-22-21(15-17)20(9-8-18-11-13-24-14-12-18)16-23(25-22)19-5-3-2-4-6-19/h2-7,10,15-16,18,24H,8-9,11-14H2,1H3
InChIKey
NRGZTGDGJSAAFK-UHFFFAOYSA-N
Compound name
6-methyl-2-phenyl-4-(2-piperidin-4-ylethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

330.2096 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.21688 183.4
[M+Na]+ 353.19882 187.9
[M-H]- 329.20232 188.2
[M+NH4]+ 348.24342 193.9
[M+K]+ 369.17276 179.6
[M+H-H2O]+ 313.20686 171.7
[M+HCOO]- 375.20780 196.9
[M+CH3COO]- 389.22345 191.2
[M+Na-2H]- 351.18427 186.2
[M]+ 330.20905 177.2
[M]- 330.21015 177.2
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