CID 54800

Octanoylprimaquine

Structural Information

Molecular Formula
C23H35N3O2
SMILES
CCCCCCCC(=O)NCCCC(C)NC1=C2C(=CC(=C1)OC)C=CC=N2
InChI
InChI=1S/C23H35N3O2/c1-4-5-6-7-8-13-22(27)24-14-9-11-18(2)26-21-17-20(28-3)16-19-12-10-15-25-23(19)21/h10,12,15-18,26H,4-9,11,13-14H2,1-3H3,(H,24,27)
InChIKey
ZJIPRNQITXJYCK-UHFFFAOYSA-N
Compound name
N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

385.27292 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.28020 199.6
[M+Na]+ 408.26214 201.8
[M-H]- 384.26564 200.8
[M+NH4]+ 403.30674 210.2
[M+K]+ 424.23608 197.3
[M+H-H2O]+ 368.27018 189.7
[M+HCOO]- 430.27112 218.5
[M+CH3COO]- 444.28677 229.8
[M+Na-2H]- 406.24759 200.7
[M]+ 385.27237 203.7
[M]- 385.27347 203.7
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