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 186.9
[M+Na]+ 372.20464 192.3
[M-H]- 348.20814 193.7
[M+NH4]+ 367.24924 199.6
[M+K]+ 388.17858 187.6
[M+H-H2O]+ 332.21268 176.2
[M+HCOO]- 394.21362 209.6
[M+CH3COO]- 408.22927 224.8
[M+Na-2H]- 370.19009 191.9
[M]+ 349.21487 190.2
[M]- 349.21597 190.2
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.