CID 5215318

689270-18-6

Structural Information

Molecular Formula
C27H33N3O2
SMILES
CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCCCC4C
InChI
InChI=1S/C27H33N3O2/c1-3-32-22-14-12-21(13-15-22)26-19-24(23-10-4-5-11-25(23)29-26)27(31)28-16-8-18-30-17-7-6-9-20(30)2/h4-5,10-15,19-20H,3,6-9,16-18H2,1-2H3,(H,28,31)
InChIKey
CJAGKBRBMHETMY-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

431.25726 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.26454 209.7
[M+Na]+ 454.24648 212.4
[M-H]- 430.24998 215.5
[M+NH4]+ 449.29108 216.3
[M+K]+ 470.22042 205.6
[M+H-H2O]+ 414.25452 196.7
[M+HCOO]- 476.25546 223.8
[M+CH3COO]- 490.27111 233.7
[M+Na-2H]- 452.23193 209.9
[M]+ 431.25671 207.8
[M]- 431.25781 207.8
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