CID 383964

Nsc672968

Structural Information

Molecular Formula
C18H24N4
SMILES
CCCCNC1=NC2=CC=CC=C2C3=C1N=CN3CC(C)C
InChI
InChI=1S/C18H24N4/c1-4-5-10-19-18-16-17(22(12-20-16)11-13(2)3)14-8-6-7-9-15(14)21-18/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,21)
InChIKey
QNEILFXRUKWDEH-UHFFFAOYSA-N
Compound name
N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.2001 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.20738 173.8
[M+Na]+ 319.18932 182.6
[M-H]- 295.19282 175.4
[M+NH4]+ 314.23392 189.2
[M+K]+ 335.16326 176.8
[M+H-H2O]+ 279.19736 164.4
[M+HCOO]- 341.19830 193.2
[M+CH3COO]- 355.21395 184.3
[M+Na-2H]- 317.17477 178.6
[M]+ 296.19955 177.9
[M]- 296.20065 177.9
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.