CID 702318

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

Structural Information

Molecular Formula
C14H17N3
SMILES
CC1=NC2=CC=CC=C2C(=C1)N3CCNCC3
InChI
InChI=1S/C14H17N3/c1-11-10-14(17-8-6-15-7-9-17)12-4-2-3-5-13(12)16-11/h2-5,10,15H,6-9H2,1H3
InChIKey
XYBLCORUTWKJOI-UHFFFAOYSA-N
Compound name
2-methyl-4-piperazin-1-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

169
Patents

227.14224 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.149516 154.2
[M+Na]+ 250.131458 160.6
[M-H]- 226.134964 155.4
[M+NH4]+ 245.176063 168.1
[M+K]+ 266.105398 154.9
[M+H-H2O]+ 210.139500 144.3
[M+HCOO]- 272.140441 168.4
[M+CH3COO]- 286.156091 164.0
[M+Na-2H]- 248.116906 160.3
[M]+ 227.14169142 148.0
[M]- 227.14278858 148.0
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