CID 45051292

2-(4-ethylphenyl)-4-(1-pyrrolidinyl)quinoline

Structural Information

Molecular Formula
C21H22N2
SMILES
CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)N4CCCC4
InChI
InChI=1S/C21H22N2/c1-2-16-9-11-17(12-10-16)20-15-21(23-13-5-6-14-23)18-7-3-4-8-19(18)22-20/h3-4,7-12,15H,2,5-6,13-14H2,1H3
InChIKey
MGXQRKFFBACUSD-UHFFFAOYSA-N
Compound name
2-(4-ethylphenyl)-4-pyrrolidin-1-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.17828 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18556 174.3
[M+Na]+ 325.16750 181.2
[M-H]- 301.17100 181.6
[M+NH4]+ 320.21210 188.9
[M+K]+ 341.14144 174.3
[M+H-H2O]+ 285.17554 163.7
[M+HCOO]- 347.17648 192.5
[M+CH3COO]- 361.19213 184.6
[M+Na-2H]- 323.15295 176.5
[M]+ 302.17773 171.7
[M]- 302.17883 171.7
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

No patent data available for this compound.