CID 3041930

58868-55-6

Structural Information

Molecular Formula
C22H35N3O2
SMILES
CCN(CC)CCCC(C)NC1=CC(=C2C(=C1OC)C(=C(C=N2)C)C)OC
InChI
InChI=1S/C22H35N3O2/c1-8-25(9-2)12-10-11-16(4)24-18-13-19(26-6)21-20(22(18)27-7)17(5)15(3)14-23-21/h13-14,16,24H,8-12H2,1-7H3
InChIKey
MUNWZTBUFWLJNU-UHFFFAOYSA-N
Compound name
4-N-(5,8-dimethoxy-3,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.27292 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.280196 197.4
[M+Na]+ 396.262138 203.0
[M-H]- 372.265644 201.4
[M+NH4]+ 391.306743 210.2
[M+K]+ 412.236078 200.3
[M+H-H2O]+ 356.270180 188.1
[M+HCOO]- 418.271121 217.8
[M+CH3COO]- 432.286771 234.5
[M+Na-2H]- 394.247586 197.1
[M]+ 373.27237142 205.1
[M]- 373.27346858 205.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.