CID 3069071

Brn 5980102

Structural Information

Molecular Formula
C22H35N3O
SMILES
CCN(CC)CCCC(C)NC1=CC(=C2C(=C1C)C(=CC(=N2)C)C)OC
InChI
InChI=1S/C22H35N3O/c1-8-25(9-2)12-10-11-16(4)23-19-14-20(26-7)22-21(18(19)6)15(3)13-17(5)24-22/h13-14,16,23H,8-12H2,1-7H3
InChIKey
LFODGIWMOBGUTL-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-N-(8-methoxy-2,4,5-trimethylquinolin-6-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.278 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.28528 194.4
[M+Na]+ 380.26722 200.1
[M-H]- 356.27072 198.4
[M+NH4]+ 375.31182 207.9
[M+K]+ 396.24116 196.8
[M+H-H2O]+ 340.27526 185.3
[M+HCOO]- 402.27620 214.6
[M+CH3COO]- 416.29185 232.4
[M+Na-2H]- 378.25267 194.0
[M]+ 357.27745 200.6
[M]- 357.27855 200.6
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.