CID 45051262

853349-60-7

Structural Information

Molecular Formula
C23H29N3
SMILES
CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)NCCN(CC)CC
InChI
InChI=1S/C23H29N3/c1-4-18-11-13-19(14-12-18)22-17-23(24-15-16-26(5-2)6-3)20-9-7-8-10-21(20)25-22/h7-14,17H,4-6,15-16H2,1-3H3,(H,24,25)
InChIKey
OYDTWPQFNONSTK-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[2-(4-ethylphenyl)quinolin-4-yl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.23615 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.24343 188.3
[M+Na]+ 370.22537 193.4
[M-H]- 346.22887 194.8
[M+NH4]+ 365.26997 201.1
[M+K]+ 386.19931 187.7
[M+H-H2O]+ 330.23341 177.6
[M+HCOO]- 392.23435 210.4
[M+CH3COO]- 406.25000 225.7
[M+Na-2H]- 368.21082 192.6
[M]+ 347.23560 190.5
[M]- 347.23670 190.5
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.