CID 207214

29346-96-1

Structural Information

Molecular Formula
C22H35N3O2
SMILES
CCN(CC)CCCC(C)NC1=CC(=C2C(=C1OC)C(=CC(=N2)C)C)OC
InChI
InChI=1S/C22H35N3O2/c1-8-25(9-2)12-10-11-16(4)23-18-14-19(26-6)21-20(22(18)27-7)15(3)13-17(5)24-21/h13-14,16,23H,8-12H2,1-7H3
InChIKey
POISOEAVOLICSP-UHFFFAOYSA-N
Compound name
4-N-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.27292 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.28020 197.4
[M+Na]+ 396.26214 203.0
[M-H]- 372.26564 201.4
[M+NH4]+ 391.30674 210.2
[M+K]+ 412.23608 200.3
[M+H-H2O]+ 356.27018 188.1
[M+HCOO]- 418.27112 217.8
[M+CH3COO]- 432.28677 234.5
[M+Na-2H]- 394.24759 197.1
[M]+ 373.27237 205.1
[M]- 373.27347 205.1
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

patents stripe