CID 5098674

2-(pyridin-2-yl)-4-(pyrrolidin-1-yl)quinoline

Structural Information

Molecular Formula
C18H17N3
SMILES
C1CCN(C1)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4
InChI
InChI=1S/C18H17N3/c1-2-8-15-14(7-1)18(21-11-5-6-12-21)13-17(20-15)16-9-3-4-10-19-16/h1-4,7-10,13H,5-6,11-12H2
InChIKey
XRIMFSNDQQKFRO-UHFFFAOYSA-N
Compound name
2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

275.14224 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.149516 164.8
[M+Na]+ 298.131458 172.1
[M-H]- 274.134964 170.8
[M+NH4]+ 293.176063 178.8
[M+K]+ 314.105398 165.6
[M+H-H2O]+ 258.139500 153.6
[M+HCOO]- 320.140441 182.7
[M+CH3COO]- 334.156091 175.3
[M+Na-2H]- 296.116906 169.3
[M]+ 275.14169142 161.4
[M]- 275.14278858 161.4
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