CID 45050911

853344-16-8

Structural Information

Molecular Formula
C21H23N3
SMILES
C1CCN(C1)CCNC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C21H23N3/c1-2-8-17(9-3-1)20-16-21(18-10-4-5-11-19(18)23-20)22-12-15-24-13-6-7-14-24/h1-5,8-11,16H,6-7,12-15H2,(H,22,23)
InChIKey
OFJOGASATYCYAV-UHFFFAOYSA-N
Compound name
2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

317.1892 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.19648 175.5
[M+Na]+ 340.17842 180.5
[M-H]- 316.18192 182.3
[M+NH4]+ 335.22302 188.8
[M+K]+ 356.15236 173.6
[M+H-H2O]+ 300.18646 164.4
[M+HCOO]- 362.18740 194.8
[M+CH3COO]- 376.20305 185.0
[M+Na-2H]- 338.16387 179.4
[M]+ 317.18865 172.0
[M]- 317.18975 172.0
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