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 199.9
[M+Na]+ 412.25707 204.3
[M-H]- 388.26057 203.5
[M+NH4]+ 407.30167 211.6
[M+K]+ 428.23101 202.3
[M+H-H2O]+ 372.26511 190.1
[M+HCOO]- 434.26605 220.6
[M+CH3COO]- 448.28170 235.3
[M+Na-2H]- 410.24252 200.5
[M]+ 389.26730 208.6
[M]- 389.26840 208.6
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.