CID 598754

4-methyl-2-piperazin-1-yl-quinoline

Structural Information

Molecular Formula
C14H17N3
SMILES
CC1=CC(=NC2=CC=CC=C12)N3CCNCC3
InChI
InChI=1S/C14H17N3/c1-11-10-14(17-8-6-15-7-9-17)16-13-5-3-2-4-12(11)13/h2-5,10,15H,6-9H2,1H3
InChIKey
LCRABWZMGNEZJV-UHFFFAOYSA-N
Compound name
4-methyl-2-piperazin-1-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

39
Patents

227.14224 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.14952 154.3
[M+Na]+ 250.13146 169.0
[M+NH4]+ 245.17606 163.2
[M+K]+ 266.10540 160.6
[M-H]- 226.13496 158.0
[M+Na-2H]- 248.11691 162.2
[M]+ 227.14169 157.5
[M]- 227.14279 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe