CID 45051269

853330-96-8

Structural Information

Molecular Formula
C21H25N3
SMILES
CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)NCCN(C)C
InChI
InChI=1S/C21H25N3/c1-4-16-9-11-17(12-10-16)20-15-21(22-13-14-24(2)3)18-7-5-6-8-19(18)23-20/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)
InChIKey
KVRWUEUGOHWJDK-UHFFFAOYSA-N
Compound name
N-[2-(4-ethylphenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

319.20483 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.212106 179.2
[M+Na]+ 342.194048 185.2
[M-H]- 318.197554 186.2
[M+NH4]+ 337.238653 193.3
[M+K]+ 358.167988 180.0
[M+H-H2O]+ 302.202090 168.9
[M+HCOO]- 364.203031 202.0
[M+CH3COO]- 378.218681 219.8
[M+Na-2H]- 340.179496 184.7
[M]+ 319.20428142 180.8
[M]- 319.20537858 180.8
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

patents stripe