CID 3049020

Brn 0438590

Structural Information

Molecular Formula
C21H33N3O3
SMILES
CCN(CC)CCCC(C)NC1=CC(=C2C(=C1OC)C=CC(=N2)CO)OC
InChI
InChI=1S/C21H33N3O3/c1-6-24(7-2)12-8-9-15(3)22-18-13-19(26-4)20-17(21(18)27-5)11-10-16(14-25)23-20/h10-11,13,15,22,25H,6-9,12,14H2,1-5H3
InChIKey
NPRUBRKIDPMLSI-UHFFFAOYSA-N
Compound name
[6-[5-(diethylamino)pentan-2-ylamino]-5,8-dimethoxyquinolin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.2522 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.25948 194.7
[M+Na]+ 398.24142 204.6
[M+NH4]+ 393.28602 200.2
[M+K]+ 414.21536 198.2
[M-H]- 374.24492 196.7
[M+Na-2H]- 396.22687 197.6
[M]+ 375.25165 196.4
[M]- 375.25275 196.4
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.