CID 454715

150314-42-4

Structural Information

Molecular Formula
C23H23N3
SMILES
CN(C)CCNC1=CC(=NC2=CC=CC=C21)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C23H23N3/c1-26(2)14-13-24-23-16-22(25-21-10-6-5-9-20(21)23)19-12-11-17-7-3-4-8-18(17)15-19/h3-12,15-16H,13-14H2,1-2H3,(H,24,25)
InChIKey
BMEXFKHUJAIVFD-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

7
Patents

341.1892 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.19648 182.5
[M+Na]+ 364.17842 189.8
[M-H]- 340.18192 190.5
[M+NH4]+ 359.22302 196.3
[M+K]+ 380.15236 183.3
[M+H-H2O]+ 324.18646 171.5
[M+HCOO]- 386.18740 205.5
[M+CH3COO]- 400.20305 193.0
[M+Na-2H]- 362.16387 191.0
[M]+ 341.18865 184.7
[M]- 341.18975 184.7
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