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

literature stripe

Patent stripe

patents stripe