CID 45051428

1172851-06-7

Structural Information

Molecular Formula
C21H25N3O
SMILES
CN(C)CCN(C)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H25N3O/c1-23(2)13-14-24(3)21-15-20(16-9-11-17(25-4)12-10-16)22-19-8-6-5-7-18(19)21/h5-12,15H,13-14H2,1-4H3
InChIKey
OABSDVIRNQZDHV-UHFFFAOYSA-N
Compound name
N'-[2-(4-methoxyphenyl)quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.19977 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20705 182.6
[M+Na]+ 358.18899 197.3
[M+NH4]+ 353.23359 191.3
[M+K]+ 374.16293 188.4
[M-H]- 334.19249 189.6
[M+Na-2H]- 356.17444 192.1
[M]+ 335.19922 186.8
[M]- 335.20032 186.8
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.