CID 394875

Nsc698966

Structural Information

Molecular Formula
C21H12BrN3O
SMILES
C1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42
InChI
InChI=1S/C21H12BrN3O/c22-14-10-11-18-15(12-14)19-20(24-17-9-5-4-8-16(17)23-19)25(18)21(26)13-6-2-1-3-7-13/h1-12H
InChIKey
NGAUONVFJOAPKE-UHFFFAOYSA-N
Compound name
(9-bromoindolo[3,2-b]quinoxalin-6-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.01636 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.02364 188.6
[M+Na]+ 424.00558 203.0
[M-H]- 400.00908 197.7
[M+NH4]+ 419.05018 204.0
[M+K]+ 439.97952 189.6
[M+H-H2O]+ 384.01362 185.7
[M+HCOO]- 446.01456 206.1
[M+CH3COO]- 460.03021 201.2
[M+Na-2H]- 421.99103 196.5
[M]+ 401.01581 210.6
[M]- 401.01691 210.6
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.