CID 394884

Nsc698975

Structural Information

Molecular Formula
C20H19BrN4O
SMILES
CCCCNC(=O)CN1C2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4N=C31
InChI
InChI=1S/C20H19BrN4O/c1-2-3-10-22-18(26)12-25-17-9-8-13(21)11-14(17)19-20(25)24-16-7-5-4-6-15(16)23-19/h4-9,11H,2-3,10,12H2,1H3,(H,22,26)
InChIKey
RYJAEHATAJTDGH-UHFFFAOYSA-N
Compound name
2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-butylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.07422 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.08150 190.3
[M+Na]+ 433.06344 203.3
[M-H]- 409.06694 195.9
[M+NH4]+ 428.10804 205.7
[M+K]+ 449.03738 189.5
[M+H-H2O]+ 393.07148 187.3
[M+HCOO]- 455.07242 207.9
[M+CH3COO]- 469.08807 202.1
[M+Na-2H]- 431.04889 197.6
[M]+ 410.07367 214.0
[M]- 410.07477 214.0
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.