CID 5271718

Schembl9706137

Structural Information

Molecular Formula
C18H17BrN4
SMILES
CN(C)CCN1C2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4N=C31
InChI
InChI=1S/C18H17BrN4/c1-22(2)9-10-23-16-8-7-12(19)11-13(16)17-18(23)21-15-6-4-3-5-14(15)20-17/h3-8,11H,9-10H2,1-2H3
InChIKey
GCPRBJCAJXSLFG-UHFFFAOYSA-N
Compound name
2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

368.06366 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.07094 179.8
[M+Na]+ 391.05288 194.2
[M-H]- 367.05638 187.0
[M+NH4]+ 386.09748 197.7
[M+K]+ 407.02682 181.4
[M+H-H2O]+ 351.06092 177.0
[M+HCOO]- 413.06186 199.3
[M+CH3COO]- 427.07751 193.2
[M+Na-2H]- 389.03833 188.4
[M]+ 368.06311 204.1
[M]- 368.06421 204.1
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.