CID 3062235

80443-00-1

Structural Information

Molecular Formula
C22H23ClN2
SMILES
C1CNCCC1CCC2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)Cl
InChI
InChI=1S/C22H23ClN2/c23-21-19(11-10-16-12-14-24-15-13-16)18-8-4-5-9-20(18)25-22(21)17-6-2-1-3-7-17/h1-9,16,24H,10-15H2
InChIKey
IQIVZMAXIHEQCA-UHFFFAOYSA-N
Compound name
3-chloro-2-phenyl-4-(2-piperidin-4-ylethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

350.15497 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.16225 185.4
[M+Na]+ 373.14419 191.1
[M-H]- 349.14769 190.0
[M+NH4]+ 368.18879 196.0
[M+K]+ 389.11813 181.6
[M+H-H2O]+ 333.15223 174.1
[M+HCOO]- 395.15317 194.6
[M+CH3COO]- 409.16882 193.1
[M+Na-2H]- 371.12964 188.2
[M]+ 350.15442 181.2
[M]- 350.15552 181.2
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