CID 432307

64993-13-1

Structural Information

Molecular Formula
C21H32FN3O
SMILES
CCN(CC)CCCCCCNC1=CC(=C(C2=C(C=CN=C12)C)F)OC
InChI
InChI=1S/C21H32FN3O/c1-5-25(6-2)14-10-8-7-9-12-23-17-15-18(26-4)20(22)19-16(3)11-13-24-21(17)19/h11,13,15,23H,5-10,12,14H2,1-4H3
InChIKey
RWLBMCMLTHIUMT-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(5-fluoro-6-methoxy-4-methylquinolin-8-yl)hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

361.25293 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.26021 192.3
[M+Na]+ 384.24215 197.9
[M-H]- 360.24565 194.6
[M+NH4]+ 379.28675 205.4
[M+K]+ 400.21609 193.7
[M+H-H2O]+ 344.25019 181.9
[M+HCOO]- 406.25113 212.9
[M+CH3COO]- 420.26678 229.9
[M+Na-2H]- 382.22760 193.8
[M]+ 361.25238 197.3
[M]- 361.25348 197.3
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

patents stripe