CID 394883

Ethyl 2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetate

Structural Information

Molecular Formula
C18H14BrN3O2
SMILES
CCOC(=O)CN1C2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4N=C31
InChI
InChI=1S/C18H14BrN3O2/c1-2-24-16(23)10-22-15-8-7-11(19)9-12(15)17-18(22)21-14-6-4-3-5-13(14)20-17/h3-9H,2,10H2,1H3
InChIKey
OFIDORUTRSFBQN-UHFFFAOYSA-N
Compound name
ethyl 2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.02695 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.03423 181.8
[M+Na]+ 406.01617 196.5
[M-H]- 382.01967 188.0
[M+NH4]+ 401.06077 198.6
[M+K]+ 421.99011 184.0
[M+H-H2O]+ 366.02421 179.6
[M+HCOO]- 428.02515 199.4
[M+CH3COO]- 442.04080 194.9
[M+Na-2H]- 404.00162 189.5
[M]+ 383.02640 206.8
[M]- 383.02750 206.8
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.