CID 383962

Nsc672966

Structural Information

Molecular Formula
C21H31N5
SMILES
CCN(CC)CCCNC1=NC2=CC=CC=C2C3=C1N=CN3CC(C)C
InChI
InChI=1S/C21H31N5/c1-5-25(6-2)13-9-12-22-21-19-20(26(15-23-19)14-16(3)4)17-10-7-8-11-18(17)24-21/h7-8,10-11,15-16H,5-6,9,12-14H2,1-4H3,(H,22,24)
InChIKey
TXQDFIYLWCTEBA-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.25793 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.26521 190.7
[M+Na]+ 376.24715 197.2
[M-H]- 352.25065 193.1
[M+NH4]+ 371.29175 203.9
[M+K]+ 392.22109 192.1
[M+H-H2O]+ 336.25519 180.2
[M+HCOO]- 398.25613 210.5
[M+CH3COO]- 412.27178 227.2
[M+Na-2H]- 374.23260 194.0
[M]+ 353.25738 196.3
[M]- 353.25848 196.3
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.