CID 3041928

58868-53-4

Structural Information

Molecular Formula
C21H33N3O2
SMILES
CCN(CC)CCCC(C)NC1=CC(=C2C(=C1OC)C=C(C=N2)C)OC
InChI
InChI=1S/C21H33N3O2/c1-7-24(8-2)11-9-10-16(4)23-18-13-19(25-5)20-17(21(18)26-6)12-15(3)14-22-20/h12-14,16,23H,7-11H2,1-6H3
InChIKey
QZMPNOQKZXMSKM-UHFFFAOYSA-N
Compound name
4-N-(5,8-dimethoxy-3-methylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.25726 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.26454 192.7
[M+Na]+ 382.24648 197.7
[M-H]- 358.24998 196.5
[M+NH4]+ 377.29108 205.7
[M+K]+ 398.22042 195.2
[M+H-H2O]+ 342.25452 183.3
[M+HCOO]- 404.25546 213.5
[M+CH3COO]- 418.27111 230.3
[M+Na-2H]- 380.23193 193.7
[M]+ 359.25671 199.6
[M]- 359.25781 199.6
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.