CID 124332

Dabequin

Structural Information

Molecular Formula
C19H23N3
SMILES
CCN(CC)CCNC1=CC=NC2=CC3=CC=CC=C3C=C12
InChI
InChI=1S/C19H23N3/c1-3-22(4-2)12-11-21-18-9-10-20-19-14-16-8-6-5-7-15(16)13-17(18)19/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,20,21)
InChIKey
UWOLEGVHCLTYCB-UHFFFAOYSA-N
Compound name
N-benzo[g]quinolin-4-yl-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

8
Patents

293.1892 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.19648 169.6
[M+Na]+ 316.17842 176.6
[M-H]- 292.18192 174.5
[M+NH4]+ 311.22302 185.9
[M+K]+ 332.15236 171.6
[M+H-H2O]+ 276.18646 160.2
[M+HCOO]- 338.18740 192.9
[M+CH3COO]- 352.20305 180.8
[M+Na-2H]- 314.16387 178.6
[M]+ 293.18865 172.9
[M]- 293.18975 172.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe