CID 3069067

84264-44-8

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]+ 314.259076 181.7
[M+Na]+ 336.241018 186.6
[M-H]- 312.244524 185.4
[M+NH4]+ 331.285623 196.6
[M+K]+ 352.214958 183.0
[M+H-H2O]+ 296.249060 172.7
[M+HCOO]- 358.250001 202.5
[M+CH3COO]- 372.265651 222.0
[M+Na-2H]- 334.226466 183.9
[M]+ 313.25125142 185.1
[M]- 313.25234858 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.