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]+ 376.25948 195.3
[M+Na]+ 398.24142 199.7
[M-H]- 374.24492 197.6
[M+NH4]+ 393.28602 206.8
[M+K]+ 414.21536 197.1
[M+H-H2O]+ 358.24946 186.0
[M+HCOO]- 420.25040 214.8
[M+CH3COO]- 434.26605 230.0
[M+Na-2H]- 396.22687 196.0
[M]+ 375.25165 201.7
[M]- 375.25275 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.