CID 3049022

Brn 0442909

Structural Information

Molecular Formula
C21H33N3O3
SMILES
CCN(CC)CCCC(C)NC1=C(C2=C(C=CN=C2C(=C1)OC)CO)OC
InChI
InChI=1S/C21H33N3O3/c1-6-24(7-2)12-8-9-15(3)23-17-13-18(26-4)20-19(21(17)27-5)16(14-25)10-11-22-20/h10-11,13,15,23,25H,6-9,12,14H2,1-5H3
InChIKey
XBYILEKMFVLNDJ-UHFFFAOYSA-N
Compound name
[6-[5-(diethylamino)pentan-2-ylamino]-5,8-dimethoxyquinolin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.2522 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.259476 195.3
[M+Na]+ 398.241418 199.7
[M-H]- 374.244924 197.6
[M+NH4]+ 393.286023 206.8
[M+K]+ 414.215358 197.1
[M+H-H2O]+ 358.249460 186.0
[M+HCOO]- 420.250401 214.8
[M+CH3COO]- 434.266051 230.0
[M+Na-2H]- 396.226866 196.0
[M]+ 375.25165142 201.7
[M]- 375.25274858 201.7
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.