CID 3062239

80443-03-4

Structural Information

Molecular Formula
C16H19ClN2
SMILES
CC1=C2C(=CC=C1)C(=C(C=N2)Cl)CC3CCNCC3
InChI
InChI=1S/C16H19ClN2/c1-11-3-2-4-13-14(15(17)10-19-16(11)13)9-12-5-7-18-8-6-12/h2-4,10,12,18H,5-9H2,1H3
InChIKey
PFSJTEXPGBUCNF-UHFFFAOYSA-N
Compound name
3-chloro-8-methyl-4-(piperidin-4-ylmethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

274.1237 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13098 164.4
[M+Na]+ 297.11292 171.6
[M-H]- 273.11642 166.7
[M+NH4]+ 292.15752 179.0
[M+K]+ 313.08686 164.1
[M+H-H2O]+ 257.12096 155.6
[M+HCOO]- 319.12190 174.6
[M+CH3COO]- 333.13755 174.1
[M+Na-2H]- 295.09837 168.2
[M]+ 274.12315 160.9
[M]- 274.12425 160.9
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