CID 5271721

Chembl4078662

Structural Information

Molecular Formula
C19H20N4
SMILES
CN(C)CCCN1C2=CC=CC=C2C3=NC4=CC=CC=C4N=C31
InChI
InChI=1S/C19H20N4/c1-22(2)12-7-13-23-17-11-6-3-8-14(17)18-19(23)21-16-10-5-4-9-15(16)20-18/h3-6,8-11H,7,12-13H2,1-2H3
InChIKey
HPHPPMMLSAHJET-UHFFFAOYSA-N
Compound name
3-indolo[3,2-b]quinoxalin-6-yl-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

304.1688 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17608 173.0
[M+Na]+ 327.15802 184.0
[M-H]- 303.16152 177.3
[M+NH4]+ 322.20262 189.4
[M+K]+ 343.13196 177.7
[M+H-H2O]+ 287.16606 162.7
[M+HCOO]- 349.16700 194.4
[M+CH3COO]- 363.18265 184.7
[M+Na-2H]- 325.14347 181.4
[M]+ 304.16825 179.2
[M]- 304.16935 179.2
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

No patent data available for this compound.