CID 42548

Sitamaquine

Structural Information

Molecular Formula
C21H33N3O
SMILES
CCN(CC)CCCCCCNC1=CC(=CC2=C(C=CN=C12)C)OC
InChI
InChI=1S/C21H33N3O/c1-5-24(6-2)14-10-8-7-9-12-22-20-16-18(25-4)15-19-17(3)11-13-23-21(19)20/h11,13,15-16,22H,5-10,12,14H2,1-4H3
InChIKey
RVAKDGYPIVSYEU-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(6-methoxy-4-methylquinolin-8-yl)hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

237
References

393
Patents

343.26236 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.26964 188.4
[M+Na]+ 366.25158 200.0
[M+NH4]+ 361.29618 195.7
[M+K]+ 382.22552 191.1
[M-H]- 342.25508 192.2
[M+Na-2H]- 364.23703 193.5
[M]+ 343.26181 191.1
[M]- 343.26291 191.1
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