CID 45051409

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

Structural Information

Molecular Formula
C20H20N2O
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)N4CCCC4
InChI
InChI=1S/C20H20N2O/c1-23-16-10-8-15(9-11-16)19-14-20(22-12-4-5-13-22)17-6-2-3-7-18(17)21-19/h2-3,6-11,14H,4-5,12-13H2,1H3
InChIKey
IYRACWCAJQOXTB-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

304.15756 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.164836 173.0
[M+Na]+ 327.146778 180.2
[M-H]- 303.150284 180.6
[M+NH4]+ 322.191383 187.5
[M+K]+ 343.120718 174.1
[M+H-H2O]+ 287.154820 162.5
[M+HCOO]- 349.155761 191.8
[M+CH3COO]- 363.171411 183.6
[M+Na-2H]- 325.132226 175.8
[M]+ 304.15701142 171.5
[M]- 304.15810858 171.5
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