CID 45051430

853333-50-3

Structural Information

Molecular Formula
C23H27N3O
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)NCCN4CCCCC4
InChI
InChI=1S/C23H27N3O/c1-27-19-11-9-18(10-12-19)22-17-23(20-7-3-4-8-21(20)25-22)24-13-16-26-14-5-2-6-15-26/h3-4,7-12,17H,2,5-6,13-16H2,1H3,(H,24,25)
InChIKey
WLDWDJTXCOMPKW-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.21542 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.22270 188.9
[M+Na]+ 384.20464 192.8
[M-H]- 360.20814 195.0
[M+NH4]+ 379.24924 198.4
[M+K]+ 400.17858 186.0
[M+H-H2O]+ 344.21268 176.5
[M+HCOO]- 406.21362 205.2
[M+CH3COO]- 420.22927 196.7
[M+Na-2H]- 382.19009 193.0
[M]+ 361.21487 185.3
[M]- 361.21597 185.3
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.