CID 3061129

78703-85-2

Structural Information

Molecular Formula
C18H28N4
SMILES
CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC=C1)N
InChI
InChI=1S/C18H28N4/c1-4-22(5-2)12-6-7-14(3)21-18-10-11-20-17-9-8-15(19)13-16(17)18/h8-11,13-14H,4-7,12,19H2,1-3H3,(H,20,21)
InChIKey
VDWMFSBLEFTMJG-UHFFFAOYSA-N
Compound name
4-N-[5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.23138 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.23866 175.7
[M+Na]+ 323.22060 179.7
[M-H]- 299.22410 178.8
[M+NH4]+ 318.26520 190.2
[M+K]+ 339.19454 176.3
[M+H-H2O]+ 283.22864 166.6
[M+HCOO]- 345.22958 197.7
[M+CH3COO]- 359.24523 219.3
[M+Na-2H]- 321.20605 179.2
[M]+ 300.23083 176.3
[M]- 300.23193 176.3
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.