CID 3044975

57961-97-4

Structural Information

Molecular Formula
C16H21N3
SMILES
CN1CCN(CC1)CCC2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H21N3/c1-18-10-12-19(13-11-18)9-8-15-7-6-14-4-2-3-5-16(14)17-15/h2-7H,8-13H2,1H3
InChIKey
HCLRRXBUWSFJGE-UHFFFAOYSA-N
Compound name
2-[2-(4-methylpiperazin-1-yl)ethyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

255.17355 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.180826 162.8
[M+Na]+ 278.162768 168.7
[M-H]- 254.166274 164.9
[M+NH4]+ 273.207373 176.3
[M+K]+ 294.136708 163.4
[M+H-H2O]+ 238.170810 152.1
[M+HCOO]- 300.171751 177.8
[M+CH3COO]- 314.187401 172.4
[M+Na-2H]- 276.148216 168.3
[M]+ 255.17300142 159.1
[M]- 255.17409858 159.1
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