CID 328163

80061-22-9

Structural Information

Molecular Formula
C22H26FN3O2
SMILES
CC1=NC2=C(C=C1)C(=C(C=C2NC(C)CCCN)OC)OC3=CC=C(C=C3)F
InChI
InChI=1S/C22H26FN3O2/c1-14(5-4-12-24)25-19-13-20(27-3)22(18-11-6-15(2)26-21(18)19)28-17-9-7-16(23)8-10-17/h6-11,13-14,25H,4-5,12,24H2,1-3H3
InChIKey
DCVAXQLEGOZNEJ-UHFFFAOYSA-N
Compound name
4-N-[5-(4-fluorophenoxy)-6-methoxy-2-methylquinolin-8-yl]pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

383.2009 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.20818 194.8
[M+Na]+ 406.19012 201.5
[M-H]- 382.19362 199.1
[M+NH4]+ 401.23472 205.6
[M+K]+ 422.16406 196.1
[M+H-H2O]+ 366.19816 183.7
[M+HCOO]- 428.19910 214.4
[M+CH3COO]- 442.21475 229.2
[M+Na-2H]- 404.17557 196.2
[M]+ 383.20035 196.6
[M]- 383.20145 196.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.