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]+ 362.222696 188.9
[M+Na]+ 384.204638 192.8
[M-H]- 360.208144 195.0
[M+NH4]+ 379.249243 198.4
[M+K]+ 400.178578 186.0
[M+H-H2O]+ 344.212680 176.5
[M+HCOO]- 406.213621 205.2
[M+CH3COO]- 420.229271 196.7
[M+Na-2H]- 382.190086 193.0
[M]+ 361.21487142 185.3
[M]- 361.21596858 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.