CID 3069067

N(sup 1),n(sup 1)-diethyl-n(sup 4)-(2,4-dimethyl-6-quinolinyl)-1,4-pentanediamine

Structural Information

Molecular Formula
C20H31N3
SMILES
CCN(CC)CCCC(C)NC1=CC2=C(C=C1)N=C(C=C2C)C
InChI
InChI=1S/C20H31N3/c1-6-23(7-2)12-8-9-16(4)21-18-10-11-20-19(14-18)15(3)13-17(5)22-20/h10-11,13-14,16,21H,6-9,12H2,1-5H3
InChIKey
IRHRHJCFLJYRFS-UHFFFAOYSA-N
Compound name
4-N-(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

313.2518 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.25908 181.7
[M+Na]+ 336.24102 186.6
[M-H]- 312.24452 185.4
[M+NH4]+ 331.28562 196.6
[M+K]+ 352.21496 183.0
[M+H-H2O]+ 296.24906 172.7
[M+HCOO]- 358.25000 202.5
[M+CH3COO]- 372.26565 222.0
[M+Na-2H]- 334.22647 183.9
[M]+ 313.25125 185.1
[M]- 313.25235 185.1
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

No patent data available for this compound.