CID 45051284

853349-69-6

Structural Information

Molecular Formula
C22H27N3O
SMILES
CCN(CC)CCNC1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H27N3O/c1-4-25(5-2)15-14-23-22-16-21(17-10-12-18(26-3)13-11-17)24-20-9-7-6-8-19(20)22/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,24)
InChIKey
SUHKIYZMMUMPFG-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[2-(4-methoxyphenyl)quinolin-4-yl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.21542 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22270 187.8
[M+Na]+ 372.20464 202.2
[M+NH4]+ 367.24924 196.2
[M+K]+ 388.17858 192.5
[M-H]- 348.20814 194.5
[M+Na-2H]- 370.19009 196.8
[M]+ 349.21487 191.9
[M]- 349.21597 191.9
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.