CID 45051424

853333-47-8

Structural Information

Molecular Formula
C22H25N3O2
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)NCCN4CCOCC4
InChI
InChI=1S/C22H25N3O2/c1-26-18-8-6-17(7-9-18)21-16-22(19-4-2-3-5-20(19)24-21)23-10-11-25-12-14-27-15-13-25/h2-9,16H,10-15H2,1H3,(H,23,24)
InChIKey
LBLDTKUXWPRTDL-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

363.19467 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 188.7
[M+Na]+ 386.18389 193.1
[M-H]- 362.18739 195.7
[M+NH4]+ 381.22849 196.8
[M+K]+ 402.15783 188.3
[M+H-H2O]+ 346.19193 176.2
[M+HCOO]- 408.19287 204.6
[M+CH3COO]- 422.20852 196.8
[M+Na-2H]- 384.16934 193.7
[M]+ 363.19412 186.8
[M]- 363.19522 186.8
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