CID 133658

81358-96-5

Structural Information

Molecular Formula
C22H35N3O2
SMILES
CCCCCCOC1=C(C=C(C2=NC=CC(=C12)C)NC(C)CCCN)OC
InChI
InChI=1S/C22H35N3O2/c1-5-6-7-8-14-27-22-19(26-4)15-18(25-17(3)10-9-12-23)21-20(22)16(2)11-13-24-21/h11,13,15,17,25H,5-10,12,14,23H2,1-4H3
InChIKey
RDIBJGVCLJKGFR-UHFFFAOYSA-N
Compound name
4-N-(5-hexoxy-6-methoxy-4-methylquinolin-8-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

17
Patents

373.27292 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.28020 197.0
[M+Na]+ 396.26214 201.5
[M-H]- 372.26564 198.6
[M+NH4]+ 391.30674 208.6
[M+K]+ 412.23608 197.1
[M+H-H2O]+ 356.27018 187.6
[M+HCOO]- 418.27112 216.4
[M+CH3COO]- 432.28677 229.4
[M+Na-2H]- 394.24759 197.2
[M]+ 373.27237 202.0
[M]- 373.27347 202.0
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