CID 3049019

Brn 0440859

Structural Information

Molecular Formula
C22H35N3O3
SMILES
CCN(CC)CCCC(C)NC1=CC(=C2C(=C1OC)C=CC(=N2)COC)OC
InChI
InChI=1S/C22H35N3O3/c1-7-25(8-2)13-9-10-16(3)23-19-14-20(27-5)21-18(22(19)28-6)12-11-17(24-21)15-26-4/h11-12,14,16,23H,7-10,13,15H2,1-6H3
InChIKey
ZXRXCUPYNGSGGY-UHFFFAOYSA-N
Compound name
4-N-[5,8-dimethoxy-2-(methoxymethyl)quinolin-6-yl]-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.26785 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.27513 198.8
[M+Na]+ 412.25707 209.1
[M+NH4]+ 407.30167 204.5
[M+K]+ 428.23101 202.1
[M-H]- 388.26057 201.3
[M+Na-2H]- 410.24252 202.1
[M]+ 389.26730 200.8
[M]- 389.26840 200.8
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.