CID 3069071

84264-55-1

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]+ 358.285276 194.4
[M+Na]+ 380.267218 200.1
[M-H]- 356.270724 198.4
[M+NH4]+ 375.311823 207.9
[M+K]+ 396.241158 196.8
[M+H-H2O]+ 340.275260 185.3
[M+HCOO]- 402.276201 214.6
[M+CH3COO]- 416.291851 232.4
[M+Na-2H]- 378.252666 194.0
[M]+ 357.27745142 200.6
[M]- 357.27854858 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.