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

2
Patents

255.17355 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.18083 162.8
[M+Na]+ 278.16277 168.7
[M-H]- 254.16627 164.9
[M+NH4]+ 273.20737 176.3
[M+K]+ 294.13671 163.4
[M+H-H2O]+ 238.17081 152.1
[M+HCOO]- 300.17175 177.8
[M+CH3COO]- 314.18740 172.4
[M+Na-2H]- 276.14822 168.3
[M]+ 255.17300 159.1
[M]- 255.17410 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