CID 453055

133671-50-8

Structural Information

Molecular Formula
C20H23N3
SMILES
CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)NCCN(C)C
InChI
InChI=1S/C20H23N3/c1-15-8-10-16(11-9-15)19-14-20(21-12-13-23(2)3)17-6-4-5-7-18(17)22-19/h4-11,14H,12-13H2,1-3H3,(H,21,22)
InChIKey
DEUWWPYHIOKTRQ-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[2-(4-methylphenyl)quinolin-4-yl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

305.1892 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.19648 174.6
[M+Na]+ 328.17842 181.2
[M-H]- 304.18192 181.9
[M+NH4]+ 323.22302 189.3
[M+K]+ 344.15236 176.2
[M+H-H2O]+ 288.18646 164.6
[M+HCOO]- 350.18740 197.8
[M+CH3COO]- 364.20305 185.5
[M+Na-2H]- 326.16387 180.7
[M]+ 305.18865 175.9
[M]- 305.18975 175.9
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

No patent data available for this compound.