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]+ 364.201946 188.7
[M+Na]+ 386.183888 193.1
[M-H]- 362.187394 195.7
[M+NH4]+ 381.228493 196.8
[M+K]+ 402.157828 188.3
[M+H-H2O]+ 346.191930 176.2
[M+HCOO]- 408.192871 204.6
[M+CH3COO]- 422.208521 196.8
[M+Na-2H]- 384.169336 193.7
[M]+ 363.19412142 186.8
[M]- 363.19521858 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