CID 3041929

58868-54-5

Structural Information

Molecular Formula
C22H35N3O2
SMILES
CCN(CC)CCCC(C)NC1=CC(=C2C(=C1OC)C=C(C(=N2)C)C)OC
InChI
InChI=1S/C22H35N3O2/c1-8-25(9-2)12-10-11-16(4)23-19-14-20(26-6)21-18(22(19)27-7)13-15(3)17(5)24-21/h13-14,16,23H,8-12H2,1-7H3
InChIKey
YBNMPJHFEPBQNE-UHFFFAOYSA-N
Compound name
4-N-(5,8-dimethoxy-2,3-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 196.2
[M+Na]+ 396.26214 207.4
[M+NH4]+ 391.30674 202.6
[M+K]+ 412.23608 200.0
[M-H]- 372.26564 199.3
[M+Na-2H]- 394.24759 199.7
[M]+ 373.27237 198.6
[M]- 373.27347 198.6
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.