CID 394886

Nsc698977

Structural Information

Molecular Formula
C20H17BrN4O2
SMILES
C1COCCN1C(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42
InChI
InChI=1S/C20H17BrN4O2/c21-13-5-6-17-14(11-13)19-20(23-16-4-2-1-3-15(16)22-19)25(17)12-18(26)24-7-9-27-10-8-24/h1-6,11H,7-10,12H2
InChIKey
FQVUGYLZHUQASQ-UHFFFAOYSA-N
Compound name
2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-1-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.0535 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.06078 192.7
[M+Na]+ 447.04272 204.6
[M-H]- 423.04622 200.0
[M+NH4]+ 442.08732 204.4
[M+K]+ 463.01666 193.1
[M+H-H2O]+ 407.05076 189.0
[M+HCOO]- 469.05170 204.5
[M+CH3COO]- 483.06735 203.4
[M+Na-2H]- 445.02817 198.3
[M]+ 424.05295 212.7
[M]- 424.05405 212.7
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.