CID 3049021

Brn 0454398

Structural Information

Molecular Formula
C23H35N3O4
SMILES
CCN(CC)CCCC(C)NC1=C(C2=C(C=CN=C2C(=C1)OC)COC(=O)C)OC
InChI
InChI=1S/C23H35N3O4/c1-7-26(8-2)13-9-10-16(3)25-19-14-20(28-5)22-21(23(19)29-6)18(11-12-24-22)15-30-17(4)27/h11-12,14,16,25H,7-10,13,15H2,1-6H3
InChIKey
DWJQSDQKPVSFBT-UHFFFAOYSA-N
Compound name
[6-[5-(diethylamino)pentan-2-ylamino]-5,8-dimethoxyquinolin-4-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.26276 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.27004 206.1
[M+Na]+ 440.25198 209.9
[M-H]- 416.25548 209.5
[M+NH4]+ 435.29658 216.4
[M+K]+ 456.22592 208.4
[M+H-H2O]+ 400.26002 196.1
[M+HCOO]- 462.26096 225.7
[M+CH3COO]- 476.27661 239.8
[M+Na-2H]- 438.23743 205.2
[M]+ 417.26221 215.1
[M]- 417.26331 215.1
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.