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]+ 303.185556 174.3
[M+Na]+ 325.167498 181.2
[M-H]- 301.171004 181.6
[M+NH4]+ 320.212103 188.9
[M+K]+ 341.141438 174.3
[M+H-H2O]+ 285.175540 163.7
[M+HCOO]- 347.176481 192.5
[M+CH3COO]- 361.192131 184.6
[M+Na-2H]- 323.152946 176.5
[M]+ 302.17773142 171.7
[M]- 302.17882858 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.