CID 3062233

80442-99-5

Structural Information

Molecular Formula
C17H21ClN2
SMILES
CC1=NC2=CC=CC=C2C(=C1Cl)CCC3CCNCC3
InChI
InChI=1S/C17H21ClN2/c1-12-17(18)15(7-6-13-8-10-19-11-9-13)14-4-2-3-5-16(14)20-12/h2-5,13,19H,6-11H2,1H3
InChIKey
FUINNYQDCIKNEO-UHFFFAOYSA-N
Compound name
3-chloro-2-methyl-4-(2-piperidin-4-ylethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

288.1393 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14658 168.9
[M+Na]+ 311.12852 175.6
[M-H]- 287.13202 171.0
[M+NH4]+ 306.17312 182.9
[M+K]+ 327.10246 167.9
[M+H-H2O]+ 271.13656 159.9
[M+HCOO]- 333.13750 178.8
[M+CH3COO]- 347.15315 178.1
[M+Na-2H]- 309.11397 172.1
[M]+ 288.13875 165.7
[M]- 288.13985 165.7
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